SCHEMBL3399167

SCHEMBL3399167

O=Cc1cc(C(F)(F)F)ccc1-c1cn[nH]c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.49
FEN1 P39748 1/20 0.49
NPBWR1 P48145 2/20 0.48
ROCK2 O75116 6/20 0.45
ROCK1 Q13464 4/20 0.45
ERN1 O75460 1/20 0.40
SCN9A Q15858 9/20 0.39
EPHB4 P54760 1/20 0.38

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
SCHEMBL16501994 0.78 ROCK2 (0.47) ROCK2ROCK1ERN1
SCHEMBL18002061 0.77 ALOX5AP (0.50) ALOX5APFEN1ERN1
SCHEMBL26635214 0.77 FEN1 (0.54) ALOX5APFEN1NPBWR1
SCHEMBL30540254 0.77 FEN1 (0.54) ALOX5APFEN1NPBWR1
SCHEMBL27653523 0.75 ALOX5AP (0.49) ALOX5APFEN1NPBWR1
SCHEMBL1956753 0.73 AKT2 (0.50) FEN1ROCK2ROCK1ERN1
SCHEMBL28199128 0.73 ROCK2 (0.44) ALOX5APFEN1NPBWR1ROCK2ROCK1
SCHEMBL18002259 0.73 ALOX5AP (0.50) ALOX5APFEN1ERN1
SCHEMBL18002200 0.72 PTGDR2 (0.51) ALOX5APFEN1ERN1
SCHEMBL3401500 0.72 ROCK2 (0.45) ALOX5APFEN1NPBWR1ROCK2ROCK1

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
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALOX5AP 53/4885FEN1 3869/4885NPBWR1 604/4885

“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.