SCHEMBL5554446

SCHEMBL5554446

CNC(=O)Cc1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.48
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
PTGS1 P23219 5/20 0.40
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5796522 0.91 PTGS2 (0.42) PTGS2CNR1CNR2MAPTTP53
SCHEMBL5558905 0.90 PTGS2 (0.42) PTGS2CNR1CNR2MAPTTP53
SCHEMBL6424911 0.90 AKR1C3 (0.45) PTGS2MAPTTP53AKR1C3AKR1C2
SCHEMBL5554691 0.90 PTGS2 (0.43) PTGS2CNR1CNR2MAPTTP53
SCHEMBL6423105 0.89 PTGS2 (0.46) PTGS2CNR1CNR2MAPTTP53
SCHEMBL5554171 0.89 AKR1C3 (0.52) PTGS2CNR1CNR2MAPTAKR1C3
SCHEMBL5554674 0.89 PTGS2 (0.43) PTGS2CNR1CNR2MAPTTP53
SCHEMBL5559062 0.89 PTGS2 (0.46) PTGS2CNR1CNR2MAPTTP53
SCHEMBL5559076 0.89 PTGS2 (0.51) PTGS2CNR1CNR2MAPTTP53
SCHEMBL5559612 0.88 PLA2G2A (0.49) PTGS2CNR1CNR2MAPTTP53

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 4 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
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 (1 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885CNR1 55/4885CNR2 13/4885

“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.