SCHEMBL3884737

SCHEMBL3884737

COC(=O)CCc1cc(N)c(OC2Cc3ccccc3C2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.41
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
MAPK14 Q16539 1/20 0.38
ATR Q13535 2/20 0.38
ROCK2 O75116 3/20 0.38
TGFBR1 P36897 1/20 0.37
AR P10275 1/20 0.36
ROCK1 Q13464 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
HPSE Q9Y251 1/20 0.36
PIM1 P11309 1/20 0.36
GSK3B P49841 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 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
SCHEMBL923645 0.91 TRPA1 (0.41) TRPA1ATRROCK2TGFBR1ROCK1
SCHEMBL3883920 0.87 TRPA1 (0.39) TRPA1CCNCCDK8MAPK14ROCK2
SCHEMBL3888617 0.87 CCNC (0.47) CCNCCDK8
SCHEMBL3884038 0.86 TRPA1 (0.42) TRPA1CCNCCDK8MAPK14ROCK2
SCHEMBL3882472 0.86 ENPP2 (0.38) CCNCCDK8ATRAR
SCHEMBL923774 0.84 ABCB1 (0.42) TRPA1CCNCCDK8MAPK14ATR
SCHEMBL3888233 0.84 TRPA1 (0.40) TRPA1MAPK14ROCK2ARROCK1
SCHEMBL924513 0.84 ROCK2 (0.39) ROCK2ROCK1
SCHEMBL924410 0.83 AR (0.42) TRPA1CCNCCDK8ARBRD4
SCHEMBL922985 0.83 ATR (0.38) TRPA1ATRROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US claimed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP claimed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US claimed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 TRPA1 135/4885CCNC 2174/4885CDK8 3600/4885

“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.