SCHEMBL474298

SCHEMBL474298

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
AAK1 Q2M2I8 2/20 0.41
MPL P40238 3/20 0.40
TRPA1 O75762 3/20 0.40
ALOX5 P09917 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LTA4H P09960 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35

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
SCHEMBL475099 0.91 RAB9A (0.50) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL474447 0.91 TRPA1 (0.45) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL474343 0.89 MPL (0.47) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL16003852 0.82 ALDH1A1 (0.58) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL474221 0.81 MPL (0.45) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL474243 0.79 MPL (0.52) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL474331 0.79 RAB9A (0.51) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL474218 0.79 RAB9A (0.69) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL480700 0.78 TRPA1 (0.55) RAB9AMEN1KMT2ATRPA1
SCHEMBL16995488 0.76 RAB9A (0.54) RAB9AALDH1A1NPC1SMN1; SMN2MEN1

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-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

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 RAB9A 2462/4885ALDH1A1 449/4885NPC1 1001/4885

“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.