SCHEMBL9909374

SCHEMBL9909374

Cc1ccc(CC(c2ccc(CNCCC(=O)O)cc2)c2cccc(Cl)c2)cc1C

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.66
FOLH1 Q04609 2/20 0.41
ADRB1 P08588 4/20 0.41
ADRB3 P13945 4/20 0.41
ADRB2 P07550 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL9909348 0.90 S1PR1 (0.55) S1PR1FOLH1FFAR1
SCHEMBL9909372 0.90 S1PR1 (0.64) S1PR1FOLH1ADRB1ADRB3ADRB2
SCHEMBL9909384 0.89 S1PR1 (0.53) S1PR1FFAR4
SCHEMBL9909385 0.85 S1PR1 (0.50) S1PR1
SCHEMBL16506178 0.84 S1PR1 (0.78) S1PR1FOLH1ADRB1ADRB3ADRB2
SCHEMBL9909343 0.84 S1PR1 (0.68) S1PR1
SCHEMBL9110982 0.83 S1PR1 (0.59) S1PR1FOLH1ADRB1ADRB3ADRB2
SCHEMBL16506665 0.83 S1PR1 (0.77) S1PR1FOLH1ADRB1ADRB3ADRB2
SCHEMBL9103709 0.83 S1PR1 (0.55) S1PR1ADRB1ADRB3FFAR1
SCHEMBL16719303 0.83 S1PR1 (0.58) S1PR1ADRB1ADRB3ADRB2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142640-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20120142640-A1 ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885FOLH1 2662/4885ADRB1 52/4885

“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.