SCHEMBL1016592

SCHEMBL1016592

COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(N)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.53
TRPA1 O75762 1/20 0.50
CCNC P24863 5/20 0.41
CDK8 P49336 5/20 0.41
USP7 Q93009 1/20 0.39
POLQ O75417 1/20 0.38
PDE1C Q14123 1/20 0.37
KDR P35968 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CACNA1H O95180 1/20 0.36
CFTR P13569 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL1012899 0.87 CCNC (0.44) ARTRPA1CCNCCDK8USP7
SCHEMBL1014251 0.86 CDK8 (0.43) ARTRPA1CCNCCDK8USP7
SCHEMBL1016472 0.79 CCNC (0.45) ARTRPA1CCNCCDK8USP7
SCHEMBL1013067 0.77 CCNC (0.44) ARTRPA1CCNCCDK8USP7
SCHEMBL1012795 0.77 CCNC (0.44) ARTRPA1CCNCCDK8USP7
SCHEMBL1016638 0.76 AR (0.41) ARTRPA1CCNCCDK8POLQ
SCHEMBL1013167 0.76 AR (0.45) ARTRPA1POLQKDR
SCHEMBL1013098 0.75 CCNC (0.41) ARTRPA1CCNCCDK8POLQ
SCHEMBL1013100 0.75 CCNC (0.41) ARTRPA1CCNCCDK8POLQ
SCHEMBL1016415 0.74 AR (0.40) ARTRPA1CCNCCDK8NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
EP-2272832-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-01-12 EP disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 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 (2 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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B AR 4054/4885TRPA1 331/4885CCNC 4730/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B AR 4054/4885TRPA1 331/4885CCNC 4730/4885

“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.