SCHEMBL474234

SCHEMBL474234

CC(C)COc1c(F)cc(-c2csc(N)n2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TRPA1 O75762 1/20 0.44
ALOX5 P09917 1/20 0.43
MAPT P10636 6/20 0.42
KDM4E B2RXH2 3/20 0.42
MPL P40238 2/20 0.42
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
LTA4H P09960 5/20 0.38
CYP3A4 P08684 2/20 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

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
SCHEMBL474416 0.86 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL27898751 0.84 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL16995488 0.84 RAB9A (0.54) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL473573 0.83 TRPA1 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL475099 0.81 RAB9A (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10171329 0.80 RAB9A (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1801918 0.79 ALDH1A1 (0.66) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL474243 0.79 MPL (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL474265 0.77 FFAR4 (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL474173 0.77 MPL (0.47) ALDH1A1RAB9ANPC1SMN1; 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 6 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

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 ALDH1A1 449/4885RAB9A 2462/4885NPC1 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.