SCHEMBL3825944

SCHEMBL3825944

Cc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2=O)ccc1F

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.82
PTGS1 P23219 14/20 0.82

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
SCHEMBL3825490 0.89 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL3822946 0.83 PTGS2 (0.87) PTGS2PTGS1
SCHEMBL8654073 0.83 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL220107 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3822242 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3821537 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3820828 0.81 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL3828986 0.81 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL3821955 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3824545 0.80 PTGS2 (0.78) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097385-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS Merck & Co., Inc. (US) 2009-09-09 EP disclosed
EP-1758852-B1 SUBSTITUTED CYCLOPENTENE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-09-02 EP disclosed
WO-2008051532-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
US-7109214-B2 Substituted cyclopentene compounds GRUNENTHAL GMBH (DE) 2006-09-19 US disclosed
US-20050272955-A1 Substituted cyclopentene compounds GRUNENTHAL GMBH (DE) 2005-12-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050272955-A1 Substituted cyclopentene compounds SQLE, CYP3A5, CYP2F1 PTGS2 306/4885PTGS1 141/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.