SCHEMBL16468619

SCHEMBL16468619

Cc1ccc(CC(CCCCCCCCNCCCP(=O)(O)O)c2cccc(Cl)c2)cc1C

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.76
S1PR2 O95136 13/20 0.44
S1PR3 Q99500 13/20 0.44
LPAR2 Q9HBW0 8/20 0.44
S1PR4 O95977 5/20 0.41
S1PR5 Q9H228 1/20 0.39
CHRM2 P08172 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL16468703 1.00 S1PR1 (0.76) S1PR1S1PR2S1PR3LPAR2S1PR4
SCHEMBL16468923 1.00 S1PR1 (0.76) S1PR1S1PR2S1PR3LPAR2S1PR4
SCHEMBL16506098 0.92 S1PR1 (0.79) S1PR1S1PR2S1PR3LPAR2S1PR4
SCHEMBL16506355 0.91 S1PR1 (0.80) S1PR1S1PR2S1PR3LPAR2S1PR4
SCHEMBL15193661 0.89 S1PR1 (0.77) S1PR1S1PR2S1PR3LPAR2ADRB2
SCHEMBL15193769 0.88 S1PR1 (0.78) S1PR1S1PR2S1PR3LPAR2ADRB2
SCHEMBL15192395 0.87 S1PR1 (1.00) S1PR1S1PR2S1PR3LPAR2S1PR4
SCHEMBL16469145 0.87 S1PR1 (0.58) S1PR1S1PR2S1PR3LPAR2S1PR4
SCHEMBL15193832 0.86 S1PR1 (0.75) S1PR1S1PR2S1PR3LPAR2ADRB2
SCHEMBL16468792 0.85 S1PR1 (0.73) S1PR1CHRM2ADRB2ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 US claimed
WO-2015023837-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-02-19 WO claimed
US-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 US disclosed
US-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 US disclosed
US-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 US disclosed
WO-2015023837-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-02-19 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-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR2 3/4885S1PR3 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.