SCHEMBL2135228

SCHEMBL2135228

CCOC(=O)CCCCOc1ccc(-c2noc(-c3ccc(OC(C)C)c(Cl)c3)n2)c(CC)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.55
S1PR3 Q99500 3/20 0.55
S1PR5 Q9H228 1/20 0.55
MAP4K4 O95819 1/20 0.49
PRKCD Q05655 1/20 0.49
MINK1 Q8N4C8 1/20 0.49

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
SCHEMBL2133503 0.98 S1PR1 (0.56) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL2134091 0.93 S1PR1 (0.62) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL2134240 0.92 S1PR1 (0.63) S1PR1S1PR3S1PR5
SCHEMBL2133183 0.90 S1PR1 (0.63) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL2619462 0.90 S1PR1 (0.56) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL2135240 0.89 S1PR1 (0.64) S1PR1S1PR3S1PR5
SCHEMBL2134388 0.89 S1PR1 (0.52) S1PR1S1PR3S1PR5MAP4K4PRKCD
SCHEMBL2134475 0.88 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL2619463 0.88 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL2132652 0.88 S1PR1 (0.52) S1PR1S1PR3S1PR5MAP4K4PRKCD

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 5 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
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US 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 S1PR1 1/4885S1PR3 3/4885S1PR5 2/4885

“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.