SCHEMBL697448

SCHEMBL697448

CC(NS(C)(=O)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.44
HTT P42858 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
CA14 Q9ULX7 2/20 0.39
CA2 P00918 5/20 0.36
TP53 P04637 1/20 0.36
CA1 P00915 3/20 0.35
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL697449 1.00 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL18047580 1.00 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
Hydrochloric Acid SCHEMBL32662258 0.97 ADAMTS4 (0.43) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL725182 0.79 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL5148621 0.79 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL29633569 0.79 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL8354666 0.79 CA14 (0.39) CA14CA2CA12
SCHEMBL15473444 0.79 CA14 (0.39) CA14CA2CA12
SCHEMBL5314799 0.77 ADAMTS4 (0.43) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL19485860 0.77 CA14 (0.38) CA14CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US claimed
EP-0490667-B1 HIV protease inhibitors JAPAN ENERGY CORP (JP) 1999-06-09 EP claimed
JP-58185516-A None JP disclosed
US-20230011118-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-12 US disclosed
WO-2021252859-A1 INHIBITORS OF APOL1 AND USE OF THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-16 WO disclosed
EP-3154989-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2017-04-19 EP disclosed
EP-3105225-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-12-21 EP disclosed
WO-2015191907-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2015-12-17 WO disclosed
WO-2015121812-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-08-20 WO disclosed
EP-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 EP disclosed
EP-2423211-A1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF Kaneka Corporation (JP) 2012-02-29 EP disclosed
WO-2005016387-A2 DNA-DEPENDENT MRI CONTRAST AGENTS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-02-24 WO disclosed
WO-2003066624-A1 PYRIMIDINONESULFAMOYLUREAS AS INTEGRIN LIGANDS ABBOTT GMBH & CO. KG (DE) 2003-08-14 WO disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
EP-0490667-B1 HIV protease inhibitors JAPAN ENERGY CORP (JP) 1999-06-09 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed
EP-0574135-B1 Process for producing peptide derivatives and salts thereof JAPAN ENERGY CORP (JP) 1998-11-18 EP disclosed
US-5644028-A Process for producing peptide derivatives and salts therefor JAPAN ENERGY CORPORATION (JP) 1997-07-01 US disclosed
EP-0574135-A1 Process for producing peptide derivatives and salts thereof JAPAN ENERGY CORPORATION (JP) 1993-12-15 EP disclosed
JP-S58185516-A TAPE DRUG NITTO ELECTRIC IND CO LTD 1983-10-29 JP 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 (2 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-20230011118-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, SAAL1 ADAMTS4 2574/4885HTT 2086/4885MMP1 1144/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 ADAMTS4 4357/4885HTT 1262/4885MMP1 4779/4885

“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.