SCHEMBL1689598

SCHEMBL1689598

Cn1c(=O)c2c(CC(=O)O)nsc2n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.44
TRPV4 Q9HBA0 8/20 0.44
TRPV3 Q8NET8 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
ADORA2B P29275 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.32
AKR1B1 P15121 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL13190353 0.87 TRPA1 (0.43) TRPA1TRPV4TRPV3TRPV1ALDH1A1
SCHEMBL10087320 0.82 SMN1; SMN2 (0.42) TRPA1TRPV4TRPV3TRPV1ALDH1A1
SCHEMBL10087447 0.82 TRPA1 (0.41) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689535 0.73 ADORA2B (0.40) ADORA2BLMNACYP1A2CYP2C19ALDH1A1
SCHEMBL9974611 0.72 KDM4E (0.37) TRPA1TRPV4TRPV3TRPV1ADORA2B
SCHEMBL1689594 0.71 TRPA1 (0.34) TRPA1TRPV4TRPV3TRPV1
SCHEMBL17636237 0.70 POLB (0.37) ADORA2BLMNAMAPTCYP1A2CYP2C19
SCHEMBL13834463 0.70 TRPA1 (0.45) TRPA1TRPV4TRPV3ADORA2BLMNA
SCHEMBL13834829 0.70 TRPA1 (0.46) TRPA1TRPV4ADORA2BLMNAPOLB
SCHEMBL1689517 0.69 TRPA1 (0.55) TRPA1TRPV4TRPV3TRPV1POLB

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
US-8575178-B2 Isothiazolo-pyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-11-05 US disclosed
US-8575178-B2 Isothiazolo-pyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-11-05 US disclosed
US-8575178-B2 Isothiazolo-pyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-11-05 US disclosed
EP-2411397-B1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
EP-2411397-B1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
US-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-01-12 US disclosed
US-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-01-12 US disclosed
US-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-01-12 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-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 TRPA1 1/4885TRPV4 7/4885TRPV3 4/4885

“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.