SCHEMBL31441027

SCHEMBL31441027

CC(C(O)=S)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.76
PTGS2 P35354 5/20 0.76
MAPT P10636 5/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
ALDH1A1 P00352 3/20 0.76
LMNA P02545 3/20 0.76
CXCR1 P25024 2/20 0.76
CXCR2 P25025 2/20 0.76
CYP3A4 P08684 2/20 0.76
RECQL P46063 1/20 0.76
KDM4E B2RXH2 1/20 0.76
HPGD P15428 1/20 0.76
MAPK1 P28482 1/20 0.76
PMP22 Q01453 1/20 0.76
SLC22A6 Q4U2R8 1/20 0.76
HSD17B10 Q99714 1/20 0.76
CXCL8 P10145 1/20 0.76
THPO P40225 1/20 0.76
HIF1A Q16665 1/20 0.76
HTT P42858 3/20 0.58

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
SCHEMBL7488737 1.00 PTGS1 (0.76) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL679920 0.86 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Dexketoprofen SCHEMBL29396875 0.86 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Dexketoprofen SCHEMBL66987 0.86 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
R-Ketoprofen SCHEMBL195303 0.86 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
R-Ketoprofen SCHEMBL29353694 0.86 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL3843886 0.86 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL8754790 0.86 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL16757741 0.86 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL8577572 0.86 PTGS1 (1.00) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036574-A Drug design strategy for releasing hydrogen sulfide based on enzymolysis thiocarbonyl and application of drug design strategy in modification of terminal carboxylic acid drug 中国药科大学 2026-05-15 CN disclosed
CN-122036573-A Drug design strategy for releasing hydrogen sulfide based on enzymolysis thiocarbonyl and application of drug design strategy in diclofenac-like drug modification 中国药科大学 2026-05-15 CN disclosed
CN-122036588-A Drug design strategy for releasing hydrogen sulfide based on enzymolysis thiocarbonyl and application of drug design strategy in indole mother nucleus drug modification 中国药科大学 2026-05-15 CN disclosed
CN-119677411-A Comprises thiosulfuron acid and chlorofluoro herbicidal composition of picolinic acid 安道麦阿甘有限公司 2025-03-21 CN disclosed
CN-119490441-A Prodrug design strategy for releasing hydrogen sulfide based on direct esterase hydrolysis thiocarboxylic acid and application of prodrug design strategy in modification of carboxylic acid drugs 中国药科大学 2025-02-21 CN disclosed