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Sugi Predict / Compounds / SCHEMBL8385166

SCHEMBL8385166

SCHEMBL8385166

CS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)c(Cl)c3)CC3(CC3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 1.00
▸ PTGS1 P23219 9/20 0.78

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
SCHEMBL8383684 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL8386138 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL212430 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8386121 0.88 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8383988 0.88 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8385294 0.88 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL8385278 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL215552 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL215587 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8384120 0.85 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743938-B1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-04-21 — — EP claimed
EP-0743938-B1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-04-21 — — EP disclosed
US-5393790-A Diphenyl- or phenyl/pyridyl-substituted spiroheptenes, -octenes,-nonenes or -decenes; cyclooxygenase II inhibitors; side effect reduction; antipyretics; antiarthritic agents G.D. SEARLE & CO. (US) 1995-02-28 — — US disclosed