SCHEMBL5553892

SCHEMBL5553892

CCNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.41
PTGS1 P23219 3/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5558568 0.93 PTGS2 (0.45) PTGS2PTGS1TP53MAPTCNR1
SCHEMBL5800318 0.91 AKR1C3 (0.41) PTGS2PTGS1TP53MAPTAKR1C3
SCHEMBL5553613 0.91 PTGS2 (0.49) PTGS2PTGS1TP53MAPTHRH4
SCHEMBL5554603 0.91 PTGS2 (0.49) PTGS2PTGS1TP53MAPTCNR1
SCHEMBL6465491 0.91 PTGS2 (0.41) PTGS2PTGS1TP53MAPTCNR1
SCHEMBL6423105 0.90 PTGS2 (0.46) PTGS2PTGS1TP53MAPTCNR1
SCHEMBL5558905 0.90 PTGS2 (0.42) PTGS2PTGS1TP53MAPTCNR1
SCHEMBL5553837 0.89 PTGS2 (0.52) PTGS2PTGS1TP53MAPTAKR1C3
SCHEMBL5553723 0.89 PTGS2 (0.43) PTGS2PTGS1TP53MAPTAKR1C3
SCHEMBL6425729 0.89 PTGS2 (0.43) PTGS2PTGS1TP53MAPTAKR1C3

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.