SCHEMBL719342

SCHEMBL719342

CCOC(=O)c1cn(-c2ccc(OC(F)(F)F)cc2)nc1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
MAPT P10636 2/20 0.46
CA12 O43570 5/20 0.44
CA9 Q16790 5/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.40
DGAT1 O75907 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL718931 0.88 CA12 (0.51) SLC5A1SLC5A2MAPTCA12CA9
SCHEMBL716811 0.81 MEN1 (0.48) CA12CA9NPC1RAB9ANPSR1
SCHEMBL718318 0.76 MEN1 (0.39) SLC5A1SLC5A2SMN1; SMN2POLBTP53
SCHEMBL16635806 0.75 NPSR1 (0.48) MAPTCA12CA9NPC1RAB9A
SCHEMBL509170 0.73 MAPT (0.47) SLC5A1SLC5A2MAPTNPC1RAB9A
SCHEMBL5230776 0.73 CA12 (0.39) SLC5A1SLC5A2MAPTCA12CA9
SCHEMBL4298343 0.73 DGAT1 (0.67) CA12CA9NPC1RAB9ALMNA
SCHEMBL508225 0.72 MAPT (0.50) SLC5A1SLC5A2MAPTNPC1RAB9A
SCHEMBL6035293 0.72 NPSR1 (0.47) MAPTCA12CA9NPC1RAB9A
SCHEMBL717862 0.72 ALDH1A1 (0.48) MAPTCA12CA9MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SLC5A1 2/4885SLC5A2 1/4885MAPT 4533/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SLC5A1 2/4885SLC5A2 1/4885MAPT 4533/4885

“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.