Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3952159

COC(=O)C(CCCCN)NC(=O)OCc1ccccc1.Cl

nearest known ligand 0.60

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
ITGB3 known ✓ P05106 4/20 0.56
ITGA2B known ✓ P08514 4/20 0.56
CA2 known ✓ P00918 1/20 0.55
DPP4 known ✓ P27487 1/20 0.55
SIRT2 Q8IXJ6 3/20 0.60
SIRT1 Q96EB6 3/20 0.60
SIRT3 Q9NTG7 3/20 0.60
TLR2 O60603 2/20 0.57
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
TPSAB1 Q15661 2/20 0.56
KYNU Q16719 1/20 0.56
CA1 P00915 1/20 0.55
ECE1 P42892 1/20 0.54
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
CTSL P07711 1/20 0.54

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 SCHEMBL6528872 1.00 SIRT2 (0.60) SIRT2SIRT1SIRT3TLR2ITGB3
Hydrochloric Acid SCHEMBL3952162 1.00 SIRT2 (0.60) SIRT2SIRT1SIRT3TLR2ITGB3
SCHEMBL6477219 0.99 SIRT2 (0.61) SIRT2SIRT1SIRT3TLR2ITGB3
SCHEMBL1840311 0.99 SIRT2 (0.61) SIRT2SIRT1SIRT3TLR2ITGB3
SCHEMBL1840309 0.99 SIRT2 (0.61) SIRT2SIRT1SIRT3TLR2ITGB3
Hydrochloric Acid SCHEMBL6236103 0.96 SIRT2 (0.58) SIRT2SIRT1SIRT3TLR2ITGB3
Hydrochloric Acid SCHEMBL6236109 0.96 SIRT2 (0.58) SIRT2SIRT1SIRT3TLR2ITGB3
SCHEMBL8447229 0.95 SIRT2 (0.59) SIRT2SIRT1SIRT3TLR2ITGB3
SCHEMBL8447232 0.95 SIRT2 (0.59) SIRT2SIRT1SIRT3TLR2ITGB3
Hydrochloric Acid SCHEMBL7284342 0.92 ITGB3 (0.58) SIRT2SIRT1SIRT3TLR2ITGB3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117801107-A Benzazepine derivatives, conjugates containing same and application thereof 上海迪诺医药科技有限公司 2024-04-02 CN disclosed
CN-116887841-A Nanomaterials comprising ester-linked acetals 比姆医疗股份有限公司 2023-10-13 CN disclosed
CN-113912483-B Squaric acid derivative, maleic anhydride derivative, maleimide biological coupling material, preparation method and application thereof 华南理工大学 2023-01-06 CN disclosed
CN-113912483-A Squaric acid derivative, maleic anhydride derivative, maleimide biological coupling material, preparation method and application thereof 华南理工大学 2022-01-11 CN disclosed
WO-2009026701-A1 SIRTUIN INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-6927290-B2 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-09 US disclosed
EP-1160236-B1 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL CO (JP) 2005-05-25 EP disclosed
US-20040210059-A1 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-10-21 US disclosed
US-6753431-B2 REACTING A CARBAMATE DERIVATIVE WITH CARBOXYLIC AND HALOFORMIC ACID DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-06-22 US disclosed
US-20020032346-A1 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL CO., LTD. 2002-03-14 US disclosed
EP-1160236-A2 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-05 EP 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 (3 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-20040210059-A1 Production of mixed acid anhydride and amide compound CA2, CA1, CA3 ITGB3 3530/4885ITGA2B 2602/4885CA2 1/4885
US-20020032346-A1 Production of mixed acid anhydride and amide compound CA2, CA1, CA3 ITGB3 3530/4885ITGA2B 2602/4885CA2 1/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 ITGB3 3691/4885ITGA2B 2570/4885CA2 303/4885

“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.