SCHEMBL16468792

SCHEMBL16468792

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

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.73
FOLH1 Q04609 2/20 0.44
ADRB1 P08588 5/20 0.39
ADRB3 P13945 5/20 0.39
CHRM2 P08172 1/20 0.38
CASR P41180 1/20 0.38
ADRB2 P07550 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL16506665 0.91 S1PR1 (0.77) S1PR1FOLH1ADRB1ADRB3ADRB2
SCHEMBL16506178 0.89 S1PR1 (0.78) S1PR1FOLH1ADRB1ADRB3ADRB2
SCHEMBL16468656 0.87 S1PR1 (0.56) S1PR1FOLH1ADRB1ADRB3CHRM2
SCHEMBL15194131 0.87 S1PR1 (0.72) S1PR1FOLH1ADRB1ADRB3ADRB2
SCHEMBL15192010 0.86 S1PR1 (0.72) S1PR1FOLH1ADRB1ADRB3
SCHEMBL15193302 0.86 S1PR1 (0.73) S1PR1ADRB1ADRB3ADRB2
SCHEMBL16468619 0.85 S1PR1 (0.76) S1PR1ADRB3CHRM2ADRB2
SCHEMBL16468703 0.85 S1PR1 (0.76) S1PR1ADRB3CHRM2ADRB2
SCHEMBL16468923 0.85 S1PR1 (0.76) S1PR1ADRB3CHRM2ADRB2
SCHEMBL15191870 0.85 S1PR1 (0.69) S1PR1FOLH1ADRB1ADRB3

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
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 claimed
WO-2015023837-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-02-19 WO 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

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 1/4885FOLH1 1935/4885ADRB1 37/4885

“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.