SCHEMBL5559372

SCHEMBL5559372

CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)F)cc2)c2cc(Cl)c(OC)cc12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.62
PTGS1 P23219 4/20 0.62
TP53 P04637 1/20 0.53
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL5554031 0.92 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5560198 0.91 PTGS2 (0.60) PTGS2PTGS1TP53
SCHEMBL5558243 0.91 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5558752 0.90 PTGS2 (0.58) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL5442429 0.90 PTGS1 (0.77) PTGS2PTGS1NPSR1MAPTKMT2A
SCHEMBL5809963 0.90 PTGS2 (0.63) PTGS2PTGS1TP53NPSR1MAPT
SCHEMBL5808290 0.90 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5560648 0.90 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5553846 0.90 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5554235 0.89 PTGS2 (0.64) PTGS2PTGS1TP53NPSR1MAPT

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 6 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
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO 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 3/4885PTGS1 6/4885TP53 4851/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885TP53 4785/4885

“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.