SCHEMBL5558634

SCHEMBL5558634

CCC(C)NC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(OC)cc12

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.62
PPARG P37231 7/20 0.50
PPARA Q07869 2/20 0.48

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
SCHEMBL5559721 0.92 PTGS2 (0.51) PTGS2PPARG
SCHEMBL5800271 0.92 PTGS2 (0.52) PTGS2PPARGPPARA
SCHEMBL5554385 0.92 PTGS2 (0.60) PTGS2
SCHEMBL5560216 0.91 PTGS2 (0.64) PTGS2
SCHEMBL5558967 0.91 PTGS2 (0.64) PTGS2
SCHEMBL5560467 0.91 PTGS2 (0.66) PTGS2
SCHEMBL5801344 0.90 PTGS2 (0.53) PTGS2PPARGPPARA
SCHEMBL5560940 0.90 PTGS2 (0.62) PTGS2
SCHEMBL5559146 0.90 PTGS2 (0.59) PTGS2PPARGPPARA
SCHEMBL5559144 0.90 PTGS2 (0.59) PTGS2PPARGPPARA

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-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO 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 (2 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 PTGS2 3/4885PPARG 308/4885PPARA 715/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PPARG 1908/4885PPARA 2460/4885

“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.