SCHEMBL922985

SCHEMBL922985

COc1cccc2c1CC(Oc1c(N)cc(CCC(=O)O)cc1-c1ccc3[nH]ncc3c1)C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.38
ROCK2 O75116 6/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
FABP4 P15090 1/20 0.36
ROCK1 Q13464 2/20 0.36
TRPA1 O75762 2/20 0.35
FFAR1 O14842 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCB1 P08183 1/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SLC6A4 P31645 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
SCHEMBL923774 0.91 ABCB1 (0.42) ATRROCK2TRPA1ABCB1MAOB
SCHEMBL923783 0.90 PTGER1 (0.40) ROCK2TRPA1FFAR1FFAR4
SCHEMBL923482 0.90 FABP4 (0.36) ROCK2FABP4TRPA1FFAR4
SCHEMBL925399 0.89 TRPA1 (0.40) ROCK2FABP4ROCK1TRPA1FFAR1
SCHEMBL923645 0.89 TRPA1 (0.41) ATRROCK2FABP4ROCK1TRPA1
SCHEMBL924513 0.85 ROCK2 (0.39) ROCK2NPC1RAB9AROCK1MAOB
SCHEMBL923591 0.85 AR (0.37) FFAR1FFAR4
SCHEMBL922867 0.85 USP7 (0.36) ATRROCK2FABP4TRPA1FFAR4
SCHEMBL923766 0.84 TRPA1 (0.39) ROCK2FABP4ROCK1TRPA1FFAR4
SCHEMBL924313 0.84 PTGIR (0.35) FFAR1FFAR4

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 ATR 4726/4885ROCK2 3943/4885NPC1 139/4885

“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.