SCHEMBL8486254

SCHEMBL8486254

COc1ccc(-c2ncccc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.74
PTGS1 P23219 6/20 0.74
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PTK2 Q05397 1/20 0.47

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
SCHEMBL7113110 0.87 KDM4E (0.67) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL8442044 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8483738 0.84 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL8483933 0.83 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL23397418 0.82 ALDH1A1 (0.61) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL6725826 0.82 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL790509 0.79 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL7175144 0.77 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL28147345 0.77 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL28146262 0.77 PTGS2 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932586-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-03 US claimed
US-5932586-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-03 US disclosed