SCHEMBL7147045

SCHEMBL7147045

COc1ccc(-c2cc(S(C)(=O)=O)ccc2-c2nc(C(F)(F)F)c[nH]2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.55
PTGS1 P23219 6/20 0.47
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL10556563 0.81 PTGS2 (0.47) PTGS2PTGS1LMNATP53HPGD
SCHEMBL7144668 0.81 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL5597397 0.81 PTGS2 (0.50) PTGS2PTGS1LMNASMN1; SMN2NPSR1
SCHEMBL6448449 0.78 SDHB (0.52) PTGS2PTGS1
SCHEMBL6532907 0.72 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6725713 0.72 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7500687 0.72 PTGS2 (0.67) PTGS2PTGS1SMN1; SMN2
SCHEMBL11780539 0.70 HPGD (0.52) LMNATP53HPGDHTTKMT2A
SCHEMBL7083971 0.70 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8044562 0.70 PTGS2 (0.76) PTGS2PTGS1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109553-A4 TREATING INFLAMMATORY DISEASES OF THE HEAD AND NECK WITH CYCLOOXYGENASE-2 INHIBITORS CORNELL RES FOUNDATION INC (US) 2003-12-10 EP disclosed
EP-1109553-A1 TREATING INFLAMMATORY DISEASES OF THE HEAD AND NECK WITH CYCLOOXYGENASE-2 INHIBITORS CORNELL RESEARCH FOUNDATION, INC. (US) 2001-06-27 EP disclosed
WO-2000013685-A1 TREATING INFLAMMATORY DISEASES OF THE HEAD AND NECK WITH CYCLOOXYGENASE-2 INHIBITORS CORNELL RESEARCH FOUNDATION, INC. (US) 2000-03-16 WO disclosed