SCHEMBL2137141

SCHEMBL2137141

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
MMP1 P03956 2/20 0.36
TMPRSS2 O15393 2/20 0.36
PRMT1 Q99873 3/20 0.35
F2 P00734 2/20 0.35
ST14 Q9Y5Y6 2/20 0.35
PLAU P00749 1/20 0.35
MAPT P10636 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
PRMT5 O14744 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
PTP4A3 O75365 1/20 0.35
SLC22A3 O75751 1/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
S100B P04271 1/20 0.35

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 0.84 TP53 (0.32) TP53MDM2MMP1MAPTDRD3
SCHEMBL2131858 0.80 MAOB (0.34) MAOA
SCHEMBL2132205 0.80 ALDH1A1 (0.34) TP53MDM2DRD3GRIN1NPC1
SCHEMBL2133249 0.79 TP53 (0.33) TP53MDM2MMP1MAPTCYP2D6
SCHEMBL28480511 0.78 MAPT (0.63) MAPTNPC1
SCHEMBL3846345 0.77 L3MBTL1 (0.59) MAPTMAOAHRH3
SCHEMBL5522952 0.77 PKM (0.53) TP53NPC1
SCHEMBL28481517 0.77 CA1 (0.53) TP53MDM2MMP1MAPTCYP2D6
SCHEMBL11889100 0.76 LTA4H (0.46) SLC6A2DRD3SLC6A3
SCHEMBL2471286 0.76 KDM4E (0.41) DRD3

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 PRSS1 1354/4885TP53 4727/4885MDM2 4580/4885

“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.