Hydrochloric Acid

Hydrochloric Acid

SCHEMBL918798

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

nearest known ligand 0.53

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 17)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.34
NOS1 P29475 2/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
LTA4H P09960 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
MARS1 P56192 5/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
BHMT Q93088 3/20 0.34

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 SCHEMBL5211496 1.00 NOS1 (0.42) NOS1NOS3NOS2CTSSCTSK
SCHEMBL11119448 0.98 NOS1 (0.43) NOS1NOS3NOS2CTSSCTSK
SCHEMBL5211511 0.98 NOS1 (0.43) NOS1NOS3NOS2CTSSCTSK
SCHEMBL7157725 0.98 NOS1 (0.43) NOS1NOS3NOS2CTSSCTSK
SCHEMBL27863494 0.88 NOS1 (0.41) NOS1NOS3NOS2CTSSCTSK
SCHEMBL16618514 0.85 CTSS (0.38) NOS1NOS3NOS2CTSSCTSK
Hydrochloric Acid SCHEMBL7289358 0.83 NOS1 (0.42) NOS1NOS3NOS2CTSSCTSK
SCHEMBL3294154 0.82 NOS1 (0.42) NOS1NOS3NOS2CTSKLTA4H
SCHEMBL10683562 0.82 NOS1 (0.42) NOS1NOS3NOS2LTA4HMETAP2
SCHEMBL24786178 0.81 METAP2 (0.34) CTSSCTSKMETAP2METAP1RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420796-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-07-11 EP claimed
EP-1420796-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-05-26 EP claimed
WO-2003011302-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-02-13 WO claimed
US-20240209020-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2024-06-27 US disclosed
CN-116981486-A Dual mode radiotracer and therapeutic agent 慕尼黑工业大学 2023-10-31 CN disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-11512108-B2 Method for producing amide compound CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2022-11-29 US disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US disclosed
US-5840918-A PEPTIDOMIMETIC COMPOUNDS USEFUL IN THE TREATMENT OF RAS-ASSOCIATED HUMAN CANCERS EISAI CO., LTD. (JP) 1998-11-24 US disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
US-5786480-A ANTITUMOR AGENT; VIRICIDES SCHERING CORPORATION (US) 1998-07-28 US disclosed
WO-1998011073-A1 8-HYDROXY-7-SUBSTITUTED QUINOLINES AS ANTI-VIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1998-03-19 WO disclosed
EP-0750609-A4 ISOPRENYL TRANSFERASE INHIBITORS EISAI CO LTD (JP) 1997-09-24 EP disclosed
US-5608067-A ANTITUMOR AGENTS MERCK SHARP & DOHME CORP. 1997-03-04 US disclosed
EP-0750609-A1 ISOPRENYL TRANSFERASE INHIBITORS Eisai Co., Ltd. (JP) 1997-01-02 EP disclosed
WO-1995025086-A1 ISOPRENYL TRANSFERASE INHIBITORS EISAI CO., LTD. (JP) 1995-09-21 WO disclosed
EP-0618221-A2 Heterocyclic inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-05 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-20240209020-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME NAAA, FAAH, FAAH2 CA2 1234/4885NOS1 365/4885NOS3 1587/4885
US-11512108-B2 Method for producing amide compound BCAT2, ASNS, VIP CA2 1151/4885NOS1 384/4885NOS3 385/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 CA2 2218/4885NOS1 3223/4885NOS3 3514/4885

“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.