SCHEMBL1013738

SCHEMBL1013738

COC(=O)CCc1cc(-c2ccc3c(cnn3C)c2)c(OC2Cc3ccccc3C2)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 0.37
AR P10275 5/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
LIPG Q9Y5X9 2/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CREBBP Q92793 2/20 0.32
NOTUM Q6P988 1/20 0.32
SYK P43405 1/20 0.32
BRD4 O60885 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32

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
SCHEMBL1013447 0.89 CCNC (0.41) TRPA1CCNCCDK8ARSLC16A3
SCHEMBL1016638 0.87 AR (0.41) TRPA1CCNCCDK8ARSLC16A3
SCHEMBL1013154 0.86 CCNC (0.41) TRPA1CCNCCDK8ARPDE4A
SCHEMBL1014249 0.86 CCNC (0.41) TRPA1CCNCCDK8ARPDE4A
SCHEMBL1016963 0.86 CCNC (0.41) TRPA1CCNCCDK8ARLIPG
SCHEMBL1017262 0.83 KDM1A (0.40) TRPA1CCNCCDK8ARCREBBP
SCHEMBL1012842 0.83 CCNC (0.39) TRPA1CCNCCDK8ARSLC16A3
SCHEMBL3884507 0.81 AR (0.41) TRPA1CCNCCDK8ARPDE4A
SCHEMBL1013527 0.80 AR (0.40) TRPA1CCNCCDK8ARSLC16A3
SCHEMBL924410 0.75 AR (0.42) TRPA1CCNCCDK8ARCREBBP

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 TRPA1 331/4885CCNC 4730/4885CDK8 4422/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B TRPA1 331/4885CCNC 4730/4885CDK8 4422/4885

“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.