SCHEMBL2136129

SCHEMBL2136129

CCc1cc(OCOCC[Si](C)(C)C)ccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
AR P10275 1/20 0.35
MAOB P27338 3/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ACACB O00763 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2131770 0.84 MRGPRX4 (0.43) GLAARMAOBCYP11B1CYP11B2
SCHEMBL2137336 0.83 AR (0.43) ARCYP11B1CYP11B2MRGPRX4PGR
SCHEMBL2131444 0.83 CYP11B1 (0.44) CYP11B1CYP11B2
SCHEMBL17258588 0.80 L3MBTL1 (0.33) MAOBALDH1A1MAPTL3MBTL1ACACB
SCHEMBL26091116 0.80 MAOB (0.35) GLAMAOBALDH1A1MAPTMEN1
SCHEMBL2133211 0.78 ALDH1A1 (0.45) MAOBALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL29910054 0.76 TSHR (0.36) ARMAOBALDH1A1MEN1NPC1
SCHEMBL2619457 0.76 L3MBTL1 (0.32) L3MBTL1KDM4E
SCHEMBL29513191 0.75 TBXAS1 (0.47) SMN1; SMN2
SCHEMBL31166643 0.75 TBXAS1 (0.47) SMN1; SMN2

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 GLA 3053/4885AR 1563/4885MAOB 3303/4885

“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.