Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3644868

COC(=O)[C@@H](N)Cc1ccc(O)c(OC(=O)N(C)C)c1.Cl

nearest known ligand 0.51

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
▸ TTR known ✓ P02766 1/20 0.43
▸ NR3C1 known ✓ P04150 1/20 0.43
▸ EGFR known ✓ P00533 1/20 0.43
▸ LCK known ✓ P06239 1/20 0.43
▸ PTGS1 known ✓ P23219 1/20 0.43
▸ HTR2A known ✓ P28223 1/20 0.43
▸ PTGS2 known ✓ P35354 1/20 0.43
▸ MMP1 known ✓ P03956 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.51
▸ ALOX15 P16050 2/20 0.43
▸ FOS P01100 1/20 0.43
▸ JUN P05412 1/20 0.43
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.43

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
SCHEMBL8100322 0.99 ALDH1A1 (0.49) ALDH1A1ALOX15FOSTTRJUN
Hydrochloric Acid SCHEMBL3645765 0.85 ALDH1A1 (0.51) ALDH1A1ALOX15FOSTTRJUN
Hydrochloric Acid SCHEMBL3645760 0.85 ALDH1A1 (0.51) ALDH1A1ALOX15FOSTTRJUN
SCHEMBL6384400 0.84 ALDH1A1 (0.61) ALDH1A1ALOX15FOSTTRJUN
SCHEMBL8087359 0.84 ALDH1A1 (0.49) ALDH1A1ALOX15FOSTTRJUN
Hydrochloric Acid SCHEMBL11967662 0.83 ALDH1A1 (0.49) ALDH1A1ALOX15FOSTTRJUN
Hydrochloric Acid SCHEMBL3646765 0.83 ALDH1A1 (0.49) ALDH1A1ALOX15FOSTTRJUN
Hydrochloric Acid SCHEMBL3642525 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15FOSTTRJUN
Hydrochloric Acid SCHEMBL27804990 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15FOSTTRJUN
SCHEMBL8095890 0.81 ALDH1A1 (0.47) ALDH1A1ALOX15FOSTTRJUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258097-B2 Amino acid derivatives PROXIMAGEN LTD. (GB) 2012-09-04 — — US claimed
US-20100190725-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2010-07-29 — — US claimed
US-8258097-B2 Amino acid derivatives PROXIMAGEN LTD. (GB) 2012-09-04 — — US disclosed
EP-2176217-B1 AMINO ACID DERIVATIVES PROXIMAGEN LTD (GB) 2012-08-22 — — EP disclosed
US-20100190725-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2010-07-29 — — US disclosed
EP-2176217-A1 AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2010-04-21 — — EP disclosed
WO-2009007696-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2009-01-15 — — 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 (1 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-20100190725-A1 AMINO ACID DERIVATIVES NPR3, NPY4R, GFRA3 TTR 4381/4885NR3C1 171/4885EGFR 276/4885

“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.

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