SCHEMBL473573

SCHEMBL473573

CC(C)COc1c(Cl)cc(-c2csc(N)n2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
LTA4H P09960 5/20 0.41
ALDH1A1 P00352 10/20 0.41
RAB9A P51151 8/20 0.41
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 6/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.38
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AR P10275 1/20 0.37
GFER P55789 1/20 0.37
LMNA P02545 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL27898751 0.84 ALDH1A1 (0.42) LTA4HALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL474234 0.83 ALDH1A1 (0.53) TRPA1LTA4HALDH1A1RAB9ANPC1
SCHEMBL474447 0.81 TRPA1 (0.45) TRPA1LTA4HALDH1A1RAB9ANPC1
SCHEMBL17400558 0.79 ALDH1A1 (0.54) LTA4HALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL474221 0.78 MPL (0.45) TRPA1LTA4HALDH1A1RAB9ANPC1
SCHEMBL2444321 0.76 TRPA1 (0.45) TRPA1LTA4HALDH1A1RAB9ANPC1
SCHEMBL474175 0.75 LTA4H (0.44) LTA4HALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL480411 0.75 TRPA1 (0.58) TRPA1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2451133 0.75 LTA4H (0.39) LTA4HALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL17407201 0.74 ALDH1A1 (0.48) LTA4HALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411395-B1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
US-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-07-12 US disclosed
US-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-07-12 US disclosed
US-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-07-12 US disclosed
EP-2411395-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2010109329-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109329-A1 FUROPYRIMIDINEDIONE 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-20120178766-A1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 TRPA1 1/4885LTA4H 234/4885ALDH1A1 449/4885

“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.