SCHEMBL476164

SCHEMBL476164

CSC(=S)c1c(N)n(C)c(=O)n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9537153 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL15798497 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL88218 0.65 ALDH1A1 (0.47) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL9539146 0.65 ALDH1A1 (0.64) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL20161977 0.65 ALDH1A1 (0.51) ALDH1A1KDM4EGLAKMT2AHTT
Water SCHEMBL3902406 0.63 ALDH1A1 (0.46) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL15384321 0.63 ALDH1A1 (0.46) ALDH1A1KDM4EGLAKMT2AHTT
Hydrochloric Acid SCHEMBL6316692 0.63 ALDH1A1 (0.46) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL25229553 0.62 ALDH1A1 (0.63) ALDH1A1KDM4EGLAKMT2AHTT
Sulfurous Acid SCHEMBL5098561 0.62 ALDH1A1 (0.44) ALDH1A1KDM4EGLAKMT2AHTT

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
EP-2411397-B1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
EP-2411397-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
US-20120010223-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-01-12 US disclosed
WO-2010109328-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO 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 ALDH1A1 721/4885KDM4E 4779/4885GLA 4631/4885

“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.