SCHEMBL6633539

SCHEMBL6633539

O=C(O)CCc1nc(NCc2ccc(O)c(Cl)c2)c2c(n1)sc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
STAT6 P42226 2/20 0.42
CA2 P00918 3/20 0.39
FFAR1 O14842 2/20 0.39
CA1 P00915 2/20 0.39
HSD17B2 P37059 2/20 0.39
EGFR P00533 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL6858285 0.95 HSD17B10 (0.42) HSD17B10STAT6CA2FFAR1CA1
SCHEMBL6635949 0.94 HSD17B10 (0.41) HSD17B10STAT6CA2FFAR1CA1
SCHEMBL6635468 0.93 HSD17B10 (0.41) HSD17B10STAT6CA2FFAR1CA1
SCHEMBL6217625 0.93 FFAR1 (0.47) FFAR1SLC22A12
SCHEMBL6635736 0.92 STAT6 (0.42) HSD17B10STAT6CA2CA1HSD17B2
SCHEMBL6860781 0.91 HSD17B10 (0.44) HSD17B10STAT6CA2CA1HSD17B2
SCHEMBL6636035 0.90 KDM4E (0.42) HSD17B10STAT6CA2CA1HSD17B2
SCHEMBL6212918 0.88 ACHE (0.45)
SCHEMBL6762774 0.87 TRPV1 (0.44) FFAR1
SCHEMBL6853056 0.87 KDM4E (0.41) HSD17B10STAT6CA2CA1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189907-B1 THIENOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 2004-12-22 EP claimed
US-6787548-B1 CARDIOVASCULAR INSUFFICIENCY AND ERECTILE DYSFUNCTION; 3-(4-(3-CHLORO-4-HYDROXYBENZYLAMINO) BENZO(4,5)THIENO(2,3-D)PYRIMIDIN-2-YL)PROPIONIC ACID MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2004-09-07 US claimed
EP-1189907-A1 THIENOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GmbH (DE) 2002-03-27 EP claimed
WO-2000078767-A1 THIENOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 2000-12-28 WO claimed
EP-1189907-B1 THIENOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 2004-12-22 EP disclosed
US-6787548-B1 CARDIOVASCULAR INSUFFICIENCY AND ERECTILE DYSFUNCTION; 3-(4-(3-CHLORO-4-HYDROXYBENZYLAMINO) BENZO(4,5)THIENO(2,3-D)PYRIMIDIN-2-YL)PROPIONIC ACID MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2004-09-07 US disclosed
EP-1189907-A1 THIENOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GmbH (DE) 2002-03-27 EP disclosed
WO-2000078767-A1 THIENOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 2000-12-28 WO disclosed