SCHEMBL5800772

SCHEMBL5800772

Cc1c(CC(N)=O)c2cc(O)c(F)cc2n1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.55
AKR1C2 P52895 9/20 0.55
PTGS2 P35354 3/20 0.49
PLA2G2A P14555 1/20 0.48
SRC P12931 3/20 0.47
PRKACA P17612 3/20 0.47
PRKACG P22612 3/20 0.47
PRKACB P22694 3/20 0.47
PTGS1 P23219 2/20 0.43
BCL2L1 Q07817 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
SCHEMBL5444313 0.91 AKR1C3 (0.67) AKR1C3AKR1C2PTGS2SRCPRKACA
SCHEMBL6423963 0.89 PTGS2 (0.53) AKR1C3AKR1C2PTGS2PLA2G2APTGS1
SCHEMBL6424322 0.89 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2PLA2G2APTGS1
SCHEMBL5561001 0.89 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PLA2G2ASRC
SCHEMBL5798696 0.88 AKR1C3 (0.55) AKR1C3AKR1C2PTGS2SRCPRKACA
SCHEMBL5559316 0.88 PTGS2 (0.55) AKR1C3AKR1C2PTGS2PLA2G2A
SCHEMBL6425799 0.87 PTGS2 (0.51) AKR1C3AKR1C2PTGS2PLA2G2ASRC
SCHEMBL5558176 0.87 PTGS2 (0.64) AKR1C3AKR1C2PTGS2PLA2G2APTGS1
SCHEMBL6423580 0.87 AKR1C3 (0.60) AKR1C3AKR1C2PTGS2PLA2G2APTGS1
SCHEMBL5553695 0.86 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2SRCPRKACA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US 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 AKR1C3 577/4885AKR1C2 563/4885PTGS2 4/4885

“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.