SCHEMBL7802254

SCHEMBL7802254

CS(=O)(=O)c1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.62
SRD5A2 P31213 2/20 0.59
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
PTGS2 P35354 4/20 0.55
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PTGS1 P23219 1/20 0.50
TRPV4 Q9HBA0 1/20 0.49

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
SCHEMBL863126 0.87 PTGS2 (0.68) AKR1C3CYP11B1CYP11B2PTGS2
SCHEMBL4321082 0.84 ENPP2 (0.58) AKR1C3PTGS2
SCHEMBL648641 0.82 SRD5A2 (0.83) SRD5A2CES2CES1
SCHEMBL7506839 0.81 PTGS2 (0.72) AKR1C3PTGS2
Hydrochloric Acid SCHEMBL27733522 0.80 SRD5A2 (0.79) SRD5A2CES2CES1
SCHEMBL4030635 0.79 PTGS2 (0.62) AKR1C3PTGS2PTGS1
SCHEMBL6583948 0.79 PTGS2 (0.57) AKR1C3PTGS2
SCHEMBL4004148 0.78 CA12 (0.72) AKR1C3TRPV4
SCHEMBL6583952 0.77 PTGS2 (0.65) AKR1C3PTGS2
SCHEMBL3468270 0.77 ENPP2 (0.75) SRD5A2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891345-B1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF UNION PHARMA SCIENT APPL (FR) 2001-08-16 EP disclosed
US-6180651-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS BRISTOL-MYERS SQUIBB 2001-01-30 US disclosed
WO-2000014082-A1 DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES LABORATORIES UPSA (FR) 2000-03-16 WO disclosed
EP-0891345-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-01-20 EP disclosed
US-5807873-A Diarylmethylidenefuran derivatives and their uses in therapeutics LABORATORIES UPSA (FR) 1998-09-15 US disclosed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 WO disclosed