SCHEMBL5558752

SCHEMBL5558752

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.58
AKR1C3 P42330 2/20 0.49
PTGS1 P23219 2/20 0.49
TP53 P04637 2/20 0.49
AKR1C2 P52895 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL5810897 0.95 PTGS2 (0.54) PTGS2AKR1C3PTGS1TP53AKR1C2
SCHEMBL5559389 0.92 PTGS2 (0.51) PTGS2TP53
SCHEMBL5558744 0.91 PTGS2 (0.51) PTGS2AKR1C3PTGS1TP53AKR1C2
SCHEMBL5553810 0.90 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5559372 0.90 PTGS2 (0.62) PTGS2PTGS1TP53MAPTSMN1; SMN2
SCHEMBL5440977 0.90 AKR1C3 (0.62) PTGS2AKR1C3PTGS1AKR1C2MAPT
SCHEMBL5560295 0.90 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL5560940 0.90 PTGS2 (0.62) PTGS2TP53
SCHEMBL5554680 0.90 PTGS2 (0.53) PTGS2AKR1C3PTGS1AKR1C2
SCHEMBL5559675 0.90 PTGS2 (0.52) PTGS2AKR1C3PTGS1TP53AKR1C2

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 3/4885AKR1C3 585/4885PTGS1 6/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885AKR1C3 577/4885PTGS1 7/4885

“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.