SCHEMBL2137147

SCHEMBL2137147

C[Si](C)(C)CCOCOc1ccc(C(N)=NO)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
RAB9A P51151 2/20 0.59
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
NPC1 O15118 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GFER P55789 1/20 0.42
SLC2A1 P11166 2/20 0.39
FURIN P09958 1/20 0.37
PRSS1 P07477 3/20 0.37
MDM2 Q00987 1/20 0.37
TMPRSS2 O15393 1/20 0.36

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
SCHEMBL2619440 1.00 GAA (0.59) GAARAB9AMAPTLMNATP53
SCHEMBL2135857 0.84 GAA (0.42) GAARAB9AMAPTLMNATP53
SCHEMBL2619438 0.84 GAA (0.42) GAARAB9AMAPTLMNATP53
SCHEMBL30427258 0.82 PARP10 (0.56) NPC1KMT2A
SCHEMBL14826991 0.81 GAA (0.68) GAARAB9AMAPTLMNATP53
SCHEMBL2619439 0.80 GAA (0.39) GAARAB9AMAPTLMNATP53
SCHEMBL2132208 0.80 GAA (0.39) GAARAB9AMAPTLMNATP53
SCHEMBL2131864 0.80 GAA (0.38) GAARAB9AMAPTLMNATP53
SCHEMBL2619442 0.80 GAA (0.38) GAARAB9AMAPTLMNATP53
SCHEMBL2619458 0.79 GAA (0.40) GAARAB9AMAPTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445892-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
WO-2010148650-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 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-20120101136-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.