SCHEMBL1689592

SCHEMBL1689592

Cc1ccc(-c2csc(NC(=O)Cc3nsc4c3c(=O)n(C)c(=O)n4C)n2)cc1F

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 20/20 0.81
TRPV4 Q9HBA0 12/20 0.81
TRPV3 Q8NET8 2/20 0.66
TRPV1 Q8NER1 1/20 0.65

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
SCHEMBL1689653 0.93 TRPA1 (0.83) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689571 0.90 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689591 0.88 TRPA1 (0.88) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689586 0.87 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689519 0.87 TRPA1 (0.81) TRPA1TRPV4TRPV3TRPV1
SCHEMBL10087323 0.87 TRPA1 (0.73) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689513 0.87 TRPA1 (0.81) TRPA1TRPV4TRPV3TRPV1
SCHEMBL476194 0.86 TRPA1 (0.79) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689578 0.86 TRPA1 (0.89) TRPA1TRPV4TRPV3TRPV1
SCHEMBL14227826 0.86 TRPA1 (0.81) TRPA1TRPV4TRPV3TRPV1

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 5 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
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.