SCHEMBL1689659

SCHEMBL1689659

Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)cc4F)cs3)nsc2n(C)c1=O

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 18/20 0.82
TRPV4 Q9HBA0 12/20 0.82
TRPV3 Q8NET8 3/20 0.74
TRPV1 Q8NER1 1/20 0.73
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL1689550 0.92 TRPA1 (0.81) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689532 0.90 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689581 0.87 TRPA1 (0.81) TRPA1TRPV4TRPV3TRPV1
SCHEMBL14227826 0.86 TRPA1 (0.81) TRPA1TRPV4TRPV3TRPV1
SCHEMBL475324 0.86 TRPA1 (0.71) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689653 0.85 TRPA1 (0.83) TRPA1TRPV4TRPV3TRPV1MAPT
SCHEMBL1689570 0.85 TRPA1 (0.88) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689589 0.85 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689546 0.84 TRPA1 (1.00) TRPA1TRPV4TRPV3TRPV1
SCHEMBL1689592 0.84 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 10 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 claimed
EP-2411397-B1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP claimed
US-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-01-12 US claimed
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
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.