SCHEMBL677751

SCHEMBL677751

COc1ccc(-n2nc(C(F)F)cc2-c2ccc([S+](C)[O-])cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.67
PTGS1 P23219 13/20 0.67
ABCB11 O95342 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7528008 1.00 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1CYP1A2
SCHEMBL8923290 1.00 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1CYP1A2
SCHEMBL7457254 1.00 PTGS2 (0.67) PTGS2PTGS1ABCB11ALDH1A1CYP1A2
SCHEMBL9207827 0.87 PTGS2 (0.60) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL14504331 0.83 PTGS2 (0.69) PTGS2PTGS1ABCB11ALDH1A1CYP1A2
SCHEMBL8290876 0.83 PTGS2 (0.73) PTGS2PTGS1ABCB11ALDH1A1CYP1A2
SCHEMBL7466954 0.82 PTGS2 (0.51) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL8187586 0.81 PTGS2 (0.79) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL8925421 0.81 PTGS2 (0.81) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL7463018 0.81 PTGS2 (0.81) PTGS2PTGS1ABCB11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706380-B1 ENCAPSULATED MEDICINE FUJISAWA PHARMACEUTICAL CO (JP) 2001-08-16 EP claimed
WO-2014176460-A1 METHODS OF TREATING BEHAVIORIAL AND/OR MENTAL DISORDERS CHAU DAVID T (US) 2014-10-30 WO disclosed
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
US-20110281829-A1 NOVEL COMPOSITION IPINTL, LLC (US) 2011-11-17 US disclosed
EP-0554829-B1 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 EP disclosed
EP-0706380-B1 ENCAPSULATED MEDICINE FUJISAWA PHARMACEUTICAL CO (JP) 2001-08-16 EP disclosed
CN-1045767-C Pyrazole derivatives processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1999-10-20 CN disclosed
CN-1187770-A Therapeutic composition for arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-15 CN disclosed
EP-0830133-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1998-03-25 EP disclosed
US-5683716-A IMPROVED ORAL ABSORPTION OF POORLY SOLUBLE DRUGS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-04 US disclosed
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
WO-1996033717-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0706380-A1 ENCAPSULATED MEDICINE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-17 EP disclosed
WO-1995001166-A1 ENCAPSULATED MEDICINE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-12 WO disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed