SCHEMBL4095857

SCHEMBL4095857

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ncccn1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.42
FAAH O00519 1/20 0.41
PTGS2 P35354 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 1/20 0.37
ALOX5AP P20292 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
GSK3B P49841 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL4386508 0.96 PLA2G2A (0.40) PLA2G2AFAAHPTGS2PTGDR2ALOX5AP
SCHEMBL4099175 0.93 ALOX5AP (0.38) PLA2G2AFAAHMAPTALOX5APF2RL3
SCHEMBL4088892 0.92 EPHX2 (0.40) FAAHMAPTEPHX2
SCHEMBL3001872 0.91 PLA2G2A (0.41) PLA2G2AFAAHPTGS2PTGDR2F2RL3
SCHEMBL4099748 0.90 FAAH (0.50) PLA2G2AFAAHPTGS2MAPT
SCHEMBL4090027 0.89 FAAH (0.46) FAAHPTGDR2MAPTEPHX2
SCHEMBL2992546 0.89 PLA2G2A (0.43) PLA2G2AFAAHPTGS2PTGDR2MAPT
SCHEMBL3008127 0.89 FAAH (0.44) PLA2G2AFAAHPTGS2
SCHEMBL3001465 0.89 PLA2G2A (0.44) PLA2G2AFAAHPTGS2
SCHEMBL3008225 0.88 PLA2G2A (0.45) PLA2G2AFAAHPTGS2MAPT

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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PLA2G2A 242/4885FAAH 1/4885PTGS2 29/4885

“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.