SCHEMBL474447

SCHEMBL474447

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
LTA4H P09960 5/20 0.41
ALDH1A1 P00352 9/20 0.40
RAB9A P51151 8/20 0.40
NPC1 O15118 6/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 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
CYP3A4 P08684 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
SCHEMBL474298 0.91 RAB9A (0.45) TRPA1LTA4HALDH1A1RAB9ANPC1
SCHEMBL474221 0.86 MPL (0.45) TRPA1LTA4HALDH1A1RAB9ANPC1
SCHEMBL474331 0.84 RAB9A (0.51) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL475099 0.83 RAB9A (0.50) TRPA1LTA4HALDH1A1RAB9ANPC1
SCHEMBL473573 0.81 TRPA1 (0.43) TRPA1LTA4HALDH1A1RAB9ANPC1
SCHEMBL17400558 0.79 ALDH1A1 (0.54) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL474343 0.79 MPL (0.47) TRPA1LTA4HALDH1A1RAB9ANPC1
SCHEMBL2444321 0.78 TRPA1 (0.45) TRPA1LTA4HALDH1A1RAB9ANPC1
SCHEMBL481037 0.78 ABL1 (0.60) TRPA1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL480792 0.75 TRPA1 (0.61) TRPA1RAB9ANPC1MAPTCYP3A4

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 8 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-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 WO 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.