Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3201523

CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)O.Cl

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.65
MAOA known ✓ P21397 1/20 0.52
MAOB known ✓ P27338 1/20 0.52
CA2 known ✓ P00918 8/20 0.47
CHRM2 known ✓ P08172 1/20 0.41
CHRM4 known ✓ P08173 1/20 0.41
CHRM5 known ✓ P08912 1/20 0.41
CHRM1 known ✓ P11229 1/20 0.41
CHRM3 known ✓ P20309 1/20 0.41
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
TDP1 Q9NUW8 2/20 0.55
CA1 P00915 8/20 0.47
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
GSR P00390 1/20 0.43
OTC P00480 1/20 0.43
ARG2 P78540 1/20 0.42
BLM P54132 1/20 0.42
NOS1 P29475 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3201533 1.00 MEN1 (0.65) MEN1GAAKMT2ATDP1MAOA
Hydrochloric Acid SCHEMBL2879159 1.00 MEN1 (0.65) MEN1GAAKMT2ATDP1MAOA
Hydrochloric Acid SCHEMBL23218006 0.98 MEN1 (0.63) MEN1GAAKMT2ATDP1MAOA
SCHEMBL2311498 0.98 MEN1 (0.67) MEN1GAAKMT2ATDP1MAOA
SCHEMBL240701 0.98 MEN1 (0.67) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3603914 0.98 MEN1 (0.67) MEN1GAAKMT2ATDP1MAOA
Methane SCHEMBL28937253 0.97 MEN1 (0.65) MEN1GAAKMT2ATDP1MAOA
SCHEMBL30992318 0.97 MEN1 (0.65) MEN1GAAKMT2ATDP1MAOA
Acetic Acid SCHEMBL15812338 0.95 MEN1 (0.63) MEN1GAAKMT2ATDP1MAOA
Hydrochloric Acid SCHEMBL4428798 0.95 MEN1 (0.71) MEN1GAAKMT2ATDP1MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
CN-117338900-A External gel preparation for promoting diabetic wound healing and preparation method and application thereof 中国药科大学 2024-01-05 CN disclosed
WO-2023154818-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MODERNATX, INC. (US) 2023-08-17 WO disclosed
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 WO disclosed
CN-108699028-B Substituted 4-phenylpyridines as non-systemic TGR5 agonists 阿德利克斯公司 2021-10-22 CN disclosed
US-11071788-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with antiB7H3-antibodies BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-07-27 US disclosed
WO-2021072140-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. (US) 2021-04-15 WO disclosed
US-20200138970-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTIB7H3-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-07 US disclosed
US-9688645-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2017-06-27 US disclosed
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-09-01 US disclosed
US-20140275068-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED (GB) 2014-09-18 US disclosed
WO-2014140510-A1 PRO-DRUG COMPOUNDS PROXIMAGEN LIMITED (GB) 2014-09-18 WO disclosed
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-07-24 US disclosed
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-02-06 US disclosed
US-8580777-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-11-12 US disclosed
US-8389764-B2 Urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-03-05 US disclosed
US-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 GAA 684/4885MAOA 349/4885MAOB 591/4885
US-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINE1 GAA 558/4885MAOA 364/4885MAOB 595/4885
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 GAA 4404/4885MAOA 305/4885MAOB 550/4885
US-11071788-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with antiB7H3-antibodies KIF23, KIF5B, KIF2C GAA 2491/4885MAOA 4527/4885MAOB 4393/4885
US-20200138970-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTIB7H3-ANTIBODIES KIF23, KIF5B, KIF2C GAA 2491/4885MAOA 4527/4885MAOB 4393/4885
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 GAA 658/4885MAOA 334/4885MAOB 563/4885
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 GAA 684/4885MAOA 349/4885MAOB 591/4885
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 GAA 44/4885MAOA 19/4885MAOB 24/4885
US-20140275068-A1 PRO-DRUG COMPOUNDS GJA1, GJB2, AQP3 GAA 4432/4885MAOA 3587/4885MAOB 2444/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.