SCHEMBL1760938

SCHEMBL1760938

COc1c(Br)csc1C(=O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
HSD17B10 Q99714 1/20 0.35
GSK3B P49841 2/20 0.34
TPMT P51580 1/20 0.34
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13592556 0.82 HSD17B1 (0.33) HSD17B1HSD17B2GAARAB9ACDC7
SCHEMBL13479457 0.82 ALDH1A1 (0.39) HSD17B1HSD17B2POLBGAACDC7
SCHEMBL1760856 0.79 GPR35 (0.46) F10HSD17B10GSK3BTPMTPOLB
SCHEMBL1529419 0.78 PTPN1 (0.44) F10HSD17B10POLBTSHRPTPN1
SCHEMBL8306941 0.78 F10 (0.41) F10HSD17B10GSK3BTPMTPOLB
Hydrochloric Acid SCHEMBL8306944 0.78 GPR35 (0.44) F10HSD17B10GSK3BTPMTPOLB
SCHEMBL12261073 0.76 GPR35 (0.42) GSK3BPOLBGAANPC1RAB9A
SCHEMBL14511473 0.75 F10 (0.45) F10HSD17B10GSK3BTPMTPOLB
SCHEMBL12310911 0.74 MAPT (0.36) F10HSD17B10POLBGAANPC1
SCHEMBL12086920 0.72 MAPT (0.47) HSD17B10GSK3BPOLBGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 EP disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 US disclosed
US-7947720-B2 3,4-di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-05-24 US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 US disclosed
EP-1434775-A1 3,4-DI-SUBSTITUTED MALEIMIDE COMPOUNDS AS CXC-CHEMOKINE RECEPTOR ANTAGONISTS Schering Corporation (US) 2004-07-07 EP disclosed
US-20040106794-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION 2004-06-03 US disclosed
US-20040097547-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands PHARMACOPEIA DRUG DISCOVERY 2004-05-20 US disclosed
WO-2004033440-A1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2004-04-22 WO disclosed
US-20040034229-A1 3,4-Di-substituted maleimide compounds as CXC chemokine receptor antagonists SCHERING CORPORATION 2004-02-19 US disclosed
EP-1381590-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS Schering Corporation (US) 2004-01-21 EP disclosed
US-20030204085-A1 3, 4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor antagonists PHARMACOPEIA, INC. 2003-10-30 US disclosed
US-20030097004-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC chemokine receptor antagonists SCHERING CORPORATION 2003-05-22 US disclosed
WO-2003031440-A1 3,4-DI-SUBSTITUTED MALEIMIDE COMPOUNDS AS CXC-CHEMOKINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-04-17 WO disclosed
WO-2002083624-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2002-10-24 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 (6 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-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 F10 2328/4885HSD17B10 644/4885GSK3B 3840/4885
US-20040034229-A1 3,4-Di-substituted maleimide compounds as CXC chemokine receptor antagonists CXCR1, CCR1, CCL2 F10 1792/4885HSD17B10 2254/4885GSK3B 4211/4885
US-20040097547-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, CXCR1, ACKR3 F10 2424/4885HSD17B10 600/4885GSK3B 3884/4885
US-20030097004-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC chemokine receptor antagonists CCR1, ACKR3, CXCR1 F10 3002/4885HSD17B10 788/4885GSK3B 3720/4885
US-20040106794-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, CXCR1, ACKR3 F10 2424/4885HSD17B10 600/4885GSK3B 3884/4885
US-20030204085-A1 3, 4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor antagonists CCR1, CXCR1, ACKR3 F10 2332/4885HSD17B10 895/4885GSK3B 3621/4885

“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.