SCHEMBL474562

SCHEMBL474562

C=CCc1csc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
TRPA1 O75762 3/20 0.36
TRPV3 Q8NET8 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
ADORA2B P29275 1/20 0.35
PDE7A Q13946 1/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
ADORA1 P30542 1/20 0.30
AOC3 Q16853 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL13834463 0.76 TRPA1 (0.45) ERCC5FEN1TRPA1TRPV3TRPV4
SCHEMBL13174943 0.75 TRPA1 (0.44) ERCC5FEN1TRPA1TRPV3TRPV4
SCHEMBL16361496 0.72 TRPA1 (0.49) ERCC5FEN1TRPA1TRPV3TRPV4
SCHEMBL15474256 0.72 ERCC5 (0.72) ERCC5FEN1ADORA2B
SCHEMBL16663490 0.71 ERCC5 (0.43) ERCC5FEN1TRPA1TRPV3TRPV4
SCHEMBL1803011 0.70 TRPA1 (0.41) TRPA1TRPV4
SCHEMBL13835019 0.70 TRPA1 (0.37) TRPA1ADORA2BUSP2AOC3
SCHEMBL13075846 0.69 ADORA2B (0.43) ADORA2BUSP2POLBADORA1L3MBTL1
SCHEMBL15241235 0.68 ERCC5 (0.40) ERCC5FEN1TRPA1TRPV3TRPV4
SCHEMBL13834828 0.66 KDM4E (0.33) TRPA1TRPV4ADORA2BAOC3

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 11 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
EP-2411396-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2010109334-A2 THIENOPYRIMIDINEDIONE 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 (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 ERCC5 1253/4885FEN1 3078/4885TRPA1 1/4885
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 ERCC5 1253/4885FEN1 3078/4885TRPA1 1/4885
US-20120295924-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 ERCC5 1253/4885FEN1 3078/4885TRPA1 1/4885

“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.