SCHEMBL7989345

SCHEMBL7989345

Cc1[nH]c(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.59
PTGS1 P23219 2/20 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
SCHEMBL8823417 0.82 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7843040 0.79 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL13280038 0.78 KMT2A (0.51)
SCHEMBL29722929 0.77 SMN1; SMN2 (0.61) PTGS2
SCHEMBL7857386 0.77 PTGS2 (0.47) PTGS2
SCHEMBL29697841 0.76 GAA (0.46)
SCHEMBL10739840 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL10738022 0.74 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL6050740 0.73 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL3248532 0.73 PTGS2 (1.00) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294568-B1 ANTIINFLAMMATORY AGENTS AND ANTITUMOR AGENTS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENTS AND COX2 ENZYME INHIBITORS NISSIN FOOD PRODUCTS CO., LTD. (JP) 2001-09-25 US disclosed
EP-1048649-A1 5-ARYLPYRROLE DERIVATIVES NISSIN FOOD PRODUCTS CO., LTD. (JP) 2000-11-02 EP disclosed