SCHEMBL1577598

SCHEMBL1577598

Cc1c(O)cccc1S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.48
ATM Q13315 1/20 0.48
CDK2 P24941 2/20 0.44
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
STAT3 P40763 1/20 0.39
EDNRA P25101 1/20 0.38
BCAT2 O15382 1/20 0.37
THRB P10828 1/20 0.37
ENPP2 Q13822 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
MAOA P21397 2/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CA12 O43570 2/20 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
SCHEMBL14658858 0.84 TRPA1 (0.50) TRPA1ATMCDK2GAAMEN1
SCHEMBL29881857 0.83 TRPA1 (0.48) TRPA1ATMCDK2GAAMEN1
SCHEMBL34452 0.83 TRPA1 (0.48) TRPA1ATMCDK2GAAMEN1
SCHEMBL28228158 0.81 TRPA1 (0.46) TRPA1ATMCDK2GAAMEN1
SCHEMBL27632967 0.81 TRPA1 (0.46) TRPA1ATMCDK2GAAMEN1
SCHEMBL9473186 0.81 TRPA1 (0.46) TRPA1ATMCDK2GAAMEN1
Ammonia Solution, Strong SCHEMBL7744387 0.81 TRPA1 (0.46) TRPA1ATMCDK2GAAMEN1
SCHEMBL17272185 0.81 TRPA1 (0.46) TRPA1ATMCDK2GAAMEN1
SCHEMBL17272019 0.81 TRPA1 (0.46) TRPA1ATMCDK2GAAMEN1
SCHEMBL6828498 0.80 CDK2 (0.48) TRPA1CDK2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018537-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2014-01-16 US disclosed
US-8536176-B2 GPR119 agonist NIPPON CHEMIPHAR CO., LTD. (JP) 2013-09-17 US disclosed
US-20110137032-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2011-06-09 US disclosed
EP-2311822-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2011-04-20 EP 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-20140018537-A1 GPR119 AGONIST GPR119, GPR27, GPR52 TRPA1 455/4885ATM 3806/4885CDK2 1675/4885
US-20110137032-A1 GPR119 AGONIST GPR119, GPR27, GPR52 TRPA1 455/4885ATM 3806/4885CDK2 1675/4885

“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.