SCHEMBL13834828

SCHEMBL13834828

C=CCc1c(C(=O)O)sc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPA1 O75762 3/20 0.32
ADORA2B P29275 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
AOC3 Q16853 1/20 0.30

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
SCHEMBL13834255 0.84 POLB (0.39) KDM4EMEN1KMT2AADORA2B
SCHEMBL13835019 0.80 TRPA1 (0.37) KDM4EMEN1KMT2ATRPA1ADORA2B
SCHEMBL13834835 0.67 TRPA1 (0.38) TRPA1ADORA2B
SCHEMBL474562 0.66 ERCC5 (0.41) TRPA1ADORA2BTRPV4AOC3
SCHEMBL13834532 0.65 TRPA1 (0.37) MEN1KMT2ATRPA1TRPV4
SCHEMBL5430644 0.64 ADORA2B (0.48) MEN1KMT2AADORA2B
SCHEMBL13174945 0.63 TRPA1 (0.44) KDM4ETRPA1TRPV4
SCHEMBL14980675 0.63 TRPA1 (0.33) TRPA1TRPV4AOC3
SCHEMBL1689549 0.61 L3MBTL1 (0.45) KDM4EMEN1KMT2ATRPA1
SCHEMBL1689598 0.57 TRPA1 (0.44) TRPA1ADORA2BTRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9474758-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2016-10-25 US disclosed
US-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-06-04 US disclosed
US-8987278-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-24 US disclosed
EP-2634191-B1 Process for preparing derivatives of thienopyrimidinedione GLENMARK PHARMACEUTICALS SA (CH) 2014-12-24 EP disclosed
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-31 US disclosed
EP-2634191-A1 Process for preparing derivatives of thienopyrimidinedione Glenmark Pharmaceuticals S.A. (CH) 2013-09-04 EP disclosed
US-8507503-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-13 US disclosed
EP-2411396-B1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
US-20120295924-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-22 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 (3 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-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 KDM4E 4699/4885MEN1 4813/4885KMT2A 4001/4885
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 KDM4E 4699/4885MEN1 4813/4885KMT2A 4001/4885
US-20120295924-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 KDM4E 4699/4885MEN1 4813/4885KMT2A 4001/4885

“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.