SCHEMBL5554450

SCHEMBL5554450

COc1cc2c(CC(=O)NC(C)(C)C(=O)O)c(C)n(C(=O)c3ccc(OC(F)F)cc3)c2cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.60
PTGS1 P23219 3/20 0.60
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 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
SCHEMBL5560098 0.91 PTGS2 (0.49) PTGS2PTGS1TP53SMN1; SMN2NPSR1
SCHEMBL6425772 0.90 PTGS2 (0.61) PTGS2PTGS1TP53SMN1; SMN2NPSR1
SCHEMBL5559988 0.89 PTGS2 (0.65) PTGS2PTGS1TP53SMN1; SMN2NPSR1
SCHEMBL5559372 0.89 PTGS2 (0.62) PTGS2PTGS1TP53SMN1; SMN2NPSR1
SCHEMBL6423348 0.89 PTGS2 (0.75) PTGS2PTGS1TP53SMN1; SMN2NPSR1
SCHEMBL5559623 0.89 PTGS2 (0.67) PTGS2PTGS1TP53SMN1; SMN2NPSR1
SCHEMBL5554031 0.88 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5442429 0.88 PTGS1 (0.77) PTGS2PTGS1NPSR1AKR1C3AKR1C2
SCHEMBL5809963 0.88 PTGS2 (0.63) PTGS2PTGS1TP53NPSR1AKR1C3
SCHEMBL5808290 0.88 PTGS2 (0.61) 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-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 3/4885PTGS1 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.