SCHEMBL923766

SCHEMBL923766

Nc1cc(CCC(=O)O)cc(-c2ccc3[nH]ncc3c2)c1OC1Cc2cc(F)c(F)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.39
FFAR4 Q5NUL3 1/20 0.36
AR P10275 1/20 0.35
MAPK14 Q16539 1/20 0.35
ROCK2 O75116 3/20 0.35
CYP3A4 P08684 2/20 0.35
FABP4 P15090 1/20 0.35
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
GRIN2B Q13224 1/20 0.34
ROCK1 Q13464 1/20 0.34
GPER1 Q99527 1/20 0.34
USP7 Q93009 1/20 0.34
STK17B O94768 1/20 0.34
MAP3K8 P41279 1/20 0.34
STK17A Q9UEE5 1/20 0.34

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
SCHEMBL923053 0.93 TRPA1 (0.39) TRPA1FFAR4ARMAPK14ROCK2
SCHEMBL922867 0.92 USP7 (0.36) TRPA1FFAR4ARMAPK14ROCK2
SCHEMBL923645 0.91 TRPA1 (0.41) TRPA1FFAR4ROCK2CYP3A4FABP4
SCHEMBL925399 0.90 TRPA1 (0.40) TRPA1FFAR4ROCK2FABP4CTNNB1
SCHEMBL924514 0.90 USP7 (0.38) TRPA1ARMAPK14ROCK2CYP3A4
SCHEMBL923774 0.90 ABCB1 (0.42) TRPA1ARMAPK14ROCK2CPT2
SCHEMBL924513 0.88 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL922973 0.87 CDC7 (0.40) TRPA1FFAR4ROCK2CYP3A4CPT2
SCHEMBL3676420 0.87 THRA (0.47) TRPA1FFAR4ARMAPK14ROCK2
SCHEMBL923482 0.86 FABP4 (0.36) TRPA1FFAR4ARMAPK14ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2620431-A1 Novel crystals of substituted phenylalkanoic acid and production process Asahi Kasei Pharma Corporation (JP) 2013-07-31 EP disclosed
EP-2045244-B1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID AND PRODUCTION PROCESS ASAHI KASEI PHARMA CORP (JP) 2013-04-03 EP disclosed
US-7935720-B2 Crystal of substituted phenylalkanoic acid ester and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20110021593-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME SHODA MOTOSHI 2011-01-27 US disclosed
US-7838546-B2 Crystal of substituted phenylalkanoic acid ester and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2010-11-23 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100234440-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME SHODA MOTOSHI 2010-09-16 US disclosed
US-7754752-B2 Crystals of substituted phenylalkanoic acid and method of producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2010-07-13 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
US-20090312386-A1 NOVEL CRYSTALS OF SUBSTITUTED PHENYLALKANOIC ACID AND METHOD OF PRODUCING THE SAME ARIMOTO YUICHI 2009-12-17 US disclosed
US-7560478-B2 Crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-14 US disclosed
EP-2045244-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID AND PRODUCTION PROCESS Asahi Kasei Pharma Corporation (JP) 2009-04-08 EP disclosed
US-20080070967-A1 Novel crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2008-03-20 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-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 TRPA1 2246/4885FFAR4 1679/4885AR 2057/4885

“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.