Sugi Predict

Sugi Predict / Compounds / SCHEMBL6745993

SCHEMBL6745993

SCHEMBL6745993

COc1cc(C2=CCC=C2c2cc(F)c(S(C)(=O)=O)cc2F)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.44
▸ PTGS1 P23219 2/20 0.38
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL6745443 0.91 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6746755 0.87 SCN9A (0.44) PTGS2PTGS1LMNA
SCHEMBL6743703 0.85 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6747149 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6744141 0.82 PTGS2 (0.40) PTGS2
SCHEMBL6746815 0.81 PTGS2 (0.42) PTGS2PTGS1LMNAHTTSMN1; SMN2
SCHEMBL6744855 0.81 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6746727 0.80 PTGS2 (0.47) PTGS2PTGS1TSHR
SCHEMBL6747114 0.79 RAB9A (0.40) PTGS2
SCHEMBL6743648 0.79 PTGS2 (0.40) 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-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 — — US claimed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 — — US disclosed