SCHEMBL2133249

SCHEMBL2133249

CCc1cc(OCOCC[Si](C)(C)C)ccc1C(=N)NO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
SMPD1 P17405 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MMP1 P03956 2/20 0.31
KDM4E B2RXH2 4/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
PDE4A P27815 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2135847 0.85 TP53 (0.32) TP53MDM2MMP1MEN1MAPT
SCHEMBL2132205 0.84 ALDH1A1 (0.34) TP53MDM2KDM4EMEN1KMT2A
SCHEMBL2131858 0.84 MAOB (0.34)
SCHEMBL2137141 0.79 PRSS1 (0.37) TP53MDM2MMP1MAPTCYP2D6
SCHEMBL2619458 0.79 GAA (0.40) TP53MDM2KDM4EMAPTCYP1A2
SCHEMBL2133253 0.79 GAA (0.40) TP53MDM2KDM4EMAPTCYP1A2
SCHEMBL17258588 0.78 L3MBTL1 (0.33) TP53MDM2L3MBTL1KDM4EMAPT
SCHEMBL2135323 0.74
SCHEMBL2619457 0.73 L3MBTL1 (0.32) TP53MDM2L3MBTL1KDM4E
SCHEMBL2136129 0.73 GLA (0.37) L3MBTL1KDM4EMEN1MAPTKMT2A

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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 TP53 4727/4885MDM2 4580/4885SMPD1 24/4885

“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.