SCHEMBL1016415

SCHEMBL1016415

COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.40
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
NR3C1 P04150 2/20 0.39
TRPA1 O75762 1/20 0.38
IDH1 O75874 2/20 0.38
KDM1A O60341 2/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
POLB P06746 1/20 0.36
CCR9 P51686 1/20 0.36
ACLY P53396 1/20 0.36
SCN9A Q15858 1/20 0.36
CCR2 P41597 1/20 0.36
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
PGR P06401 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
SCHEMBL1013167 0.87 AR (0.45) ARTRPA1IDH1
SCHEMBL1013100 0.81 CCNC (0.41) ARTRPA1IDH1CCNCCDK8
SCHEMBL1013098 0.81 CCNC (0.41) ARTRPA1IDH1CCNCCDK8
SCHEMBL1013404 0.79 AR (0.42) ARTRPA1CCNCCDK8
SCHEMBL1016472 0.79 CCNC (0.45) ARTRPA1CCNCCDK8
SCHEMBL1012899 0.77 CCNC (0.44) ARTRPA1KDM1ACCNCCDK8
SCHEMBL1013067 0.77 CCNC (0.44) ARTRPA1CCNCCDK8
SCHEMBL1013359 0.77 FAAH (0.44) ARKDM1APOLBCCNCCDK8
SCHEMBL1011231 0.75 CCNC (0.40) ARTRPA1CCNCCDK8
SCHEMBL1016592 0.74 AR (0.53) ARNR3C1TRPA1CCNCCDK8

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 4054/4885PIK3CA 693/4885MTOR 3599/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B AR 4054/4885PIK3CA 693/4885MTOR 3599/4885

“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.