SCHEMBL3419558

SCHEMBL3419558

CCc1c(OCOCC[Si](C)(C)C)cccc1/C(N)=N/O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CYP3A4 P08684 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
NR1I2 O75469 1/20 0.30
CHRM2 P08172 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
SCHEMBL2135333 1.00 GAA (0.35) GAARAB9AMAPTLMNAHTT
SCHEMBL2135323 0.79
SCHEMBL2131582 0.76 KDM4E (0.33) RAB9AMAPTLMNAHTTNPC1
SCHEMBL2133253 0.74 GAA (0.40) GAARAB9AMAPTLMNANPC1
SCHEMBL2619458 0.74 GAA (0.40) GAARAB9AMAPTLMNANPC1
SCHEMBL2127628 0.73 GAA (0.32) GAARAB9AMAPTLMNAHTT
SCHEMBL10104232 0.73 GAA (0.32) GAARAB9AMAPTLMNAHTT
SCHEMBL2135396 0.73 TSHR (0.34) GAARAB9ANPC1ALOX5APFEN1
SCHEMBL2128412 0.72 GAA (0.31) GAARAB9AALOX5APFEN1
SCHEMBL10104209 0.72 GAA (0.31) GAARAB9AALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US 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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 GAA 2575/4885RAB9A 1337/4885MAPT 3826/4885

“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.