SCHEMBL10060848

SCHEMBL10060848

Cc1ccc(CC(c2ccc(Cl)cc2)c2ccc(CN3CC(C(=O)O)C3)cc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 10/20 0.56
S1PR1 P21453 17/20 0.54
S1PR3 Q99500 1/20 0.48
LTK P29376 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47

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
SCHEMBL10060820 0.91 S1PR1 (0.52) S1PR5S1PR1
SCHEMBL10060821 0.87 S1PR1 (0.51) S1PR5S1PR1S1PR3
SCHEMBL9107584 0.85 S1PR1 (0.49) S1PR5S1PR1LTKTAOK1
SCHEMBL10061463 0.84 S1PR1 (0.51) S1PR5S1PR1S1PR3
SCHEMBL10060690 0.81 S1PR1 (0.49) S1PR5S1PR1
SCHEMBL16695243 0.80 S1PR5 (0.82) S1PR5S1PR1S1PR3LTKTAOK1
SCHEMBL16504302 0.78 S1PR1 (0.51) S1PR5S1PR1S1PR3
SCHEMBL3036853 0.78 S1PR5 (0.74) S1PR5S1PR1S1PR3
SCHEMBL10061464 0.78 S1PR5 (0.69) S1PR5S1PR1S1PR3
SCHEMBL16504354 0.77 S1PR1 (0.50) S1PR5S1PR1S1PR3

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-20120142662-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) 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-20120142662-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR5 3/4885S1PR1 1/4885S1PR3 4/4885

“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.