SCHEMBL923645

SCHEMBL923645

Nc1cc(CCC(=O)O)cc(-c2ccc3[nH]ncc3c2)c1OC1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.41
GSK3B P49841 2/20 0.39
CDK5 Q00535 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK3 O43781 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
ROCK2 O75116 4/20 0.38
CYP3A4 P08684 3/20 0.38
CDC7 O00311 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL922867 0.92 USP7 (0.36) TRPA1GSK3BCDK5DYRK1ADYRK3
SCHEMBL924514 0.91 USP7 (0.38) TRPA1CPT2CPT1AROCK2CYP3A4
SCHEMBL923766 0.91 TRPA1 (0.39) TRPA1CPT2CPT1ACTNNB1WNT3A
SCHEMBL923482 0.91 FABP4 (0.36) TRPA1GSK3BCDK5DYRK1ADYRK3
SCHEMBL923053 0.91 TRPA1 (0.39) TRPA1GSK3BCPT2CPT1ACTNNB1
SCHEMBL3884737 0.91 TRPA1 (0.41) TRPA1GSK3BCPT2CPT1AROCK2
SCHEMBL922973 0.90 CDC7 (0.40) TRPA1CPT2CPT1AROCK2CYP3A4
SCHEMBL925399 0.90 TRPA1 (0.40) TRPA1CPT2CPT1ACTNNB1WNT3A
SCHEMBL923774 0.90 ABCB1 (0.42) TRPA1CPT2CPT1AROCK2ATR
SCHEMBL3882183 0.89 TRPA1 (0.45) TRPA1GSK3BCDK5DYRK1ADYRK3

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP claimed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US claimed
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
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US 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-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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 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
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 (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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 TRPA1 135/4885GSK3B 4524/4885CDK5 3468/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 TRPA1 2246/4885GSK3B 2515/4885CDK5 4614/4885

“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.