SCHEMBL1469860

SCHEMBL1469860

Cc1c[nH]c(=O)n(COCC[Si](C)(C)C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
SLC9A1 P19634 1/20 0.42
EGFR P00533 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
ADRA1A P35348 6/20 0.32
ADRA1B P35368 6/20 0.32
ADRA1D P25100 5/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
DGAT1 O75907 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL1471386 0.84 NPC1 (0.40) NPC1EGFRIGF1RSRCFLT4
SCHEMBL8473799 0.83 NPC1 (0.39) NPC1EGFRIGF1RSRCFLT4
SCHEMBL8477439 0.82 NPC1 (0.43) NPC1EGFRIGF1RSRCFLT4
SCHEMBL1468843 0.75 NPC1 (0.41) NPC1EGFRIGF1RSRCFLT4
SCHEMBL6722438 0.73 ATM (0.38) NPC1EGFRIGF1RSRCFLT4
SCHEMBL25344141 0.72 NPC1 (0.35) NPC1
SCHEMBL2786159 0.72 ALDH1A1 (0.54) NPC1SLC9A1ADRA1AADRA1BADRA1D
SCHEMBL29674632 0.71 NPC1 (0.46) NPC1EGFRIGF1RSRCFLT4
SCHEMBL24598999 0.71 NPC1 (0.36) NPC1DGAT1
SCHEMBL22632582 0.70 NPC1 (0.46) NPC1HTTMAPTDGAT1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409934-B2 Cyclohexenyl nucleic acids analogs IONIS PHARMACEUTICALS, INC. (US) 2016-08-09 US disclosed
US-20140073786-A1 CYCLOHEXENYL NUCLEIC ACIDS ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8604192-B2 Cyclohexenyl nucleic acids analogs ISIS PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
EP-2361256-B1 CYCLOHEXENYL NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS INC (US) 2013-04-10 EP disclosed
EP-2361256-A1 CYCLOHEXENYL NUCLEIC ACID ANALOGS Isis Pharmaceuticals, Inc. (US) 2011-08-31 EP disclosed
US-20110172294-A1 CYCLOHEXENYL NUCLEIC ACIDS ANALOGS IONIS PHARMACEUTICALS, INC. 2011-07-14 US disclosed
US-20110070192-A1 Method of preparation of novel nucleoside analogs and uses AUSPEX PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110070192-A1 Method of preparation of novel nucleoside analogs and uses AUSPEX PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110070192-A1 Method of preparation of novel nucleoside analogs and uses AUSPEX PHARMACEUTICALS, INC. 2011-03-24 US disclosed
WO-2010036696-A1 CYCLOHEXENYL NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2005049582-A1 METHOD OF PREPARATION OF NOVEL NUCLEOSIDE ANALOGS AND USES AUSPEX PHARMACEUTICALS, INC. (US) 2005-06-02 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 (3 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-20110070192-A1 Method of preparation of novel nucleoside analogs and uses RNGTT, TYMP, SLC29A1 NPC1 893/4885SLC9A1 1505/4885EGFR 4304/4885
US-20110172294-A1 CYCLOHEXENYL NUCLEIC ACIDS ANALOGS POLM, POLRMT, HNRNPM NPC1 2502/4885SLC9A1 4880/4885EGFR 4316/4885
US-20140073786-A1 CYCLOHEXENYL NUCLEIC ACIDS ANALOGS POLM, POLRMT, HNRNPM NPC1 1812/4885SLC9A1 4872/4885EGFR 4243/4885

“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.