SCHEMBL5558734

SCHEMBL5558734

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.52
PTGS1 P23219 4/20 0.46
AKR1C3 P42330 6/20 0.44
AKR1C2 P52895 5/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
SRC P12931 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6423834 0.92 PTGS2 (0.54) PTGS2PTGS1AKR1C3AKR1C2MAPT
SCHEMBL6426395 0.92 PTGS2 (0.54) PTGS2PTGS1AKR1C3AKR1C2MAPT
SCHEMBL5559556 0.90 PTGS2 (0.46) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5554610 0.90 PTGS2 (0.66) PTGS2PTGS1AKR1C3AKR1C2MAPT
SCHEMBL5559042 0.89 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL5799280 0.88 PTGS2 (0.53) PTGS2PTGS1AKR1C3AKR1C2MAPT
SCHEMBL5445915 0.88 AKR1C3 (0.57) PTGS2PTGS1AKR1C3AKR1C2MAPT
SCHEMBL5558933 0.88 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL5798023 0.88 PTGS2 (0.47) PTGS2PTGS1AKR1C3AKR1C2SRC
SCHEMBL5554651 0.88 PTGS2 (0.55) 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 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 4/4885PTGS1 7/4885AKR1C3 577/4885

“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.