Sugi Predict

Sugi Predict / Compounds / SCHEMBL7773167

SCHEMBL7773167

SCHEMBL7773167

CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)nn(CCc3ccccc3)c2C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 19/20 1.00
▸ PTGS1 P23219 2/20 0.59

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
SCHEMBL214172 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7777923 0.91 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7780434 0.91 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7780653 0.90 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7777666 0.90 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL6248894 0.90 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7778051 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL7777985 0.84 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7779775 0.84 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7777863 0.84 PTGS2 (1.00) PTGS2PTGS1

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
EP-0772597-B1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2001-12-12 — — EP disclosed
EP-1127878-A1 3,4 - substituted pyrazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-29 — — EP disclosed
US-6028072-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-02-22 — — US disclosed
EP-0772597-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 — — EP disclosed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 — — WO disclosed