SCHEMBL1471074

SCHEMBL1471074

CCCCCCCCc1ccc2c(c1)CCCC(C(NC(C)=O)(C(=O)OC)C(=O)OC)C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.36
▸ S1PR3 Q99500 5/20 0.36
▸ S1PR4 O95977 2/20 0.36
▸ S1PR5 Q9H228 2/20 0.36
▸ TAOK1 Q7L7X3 3/20 0.36
▸ TAOK3 Q9H2K8 3/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ PRKCB P05771 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ PRKCH P24723 1/20 0.34

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
SCHEMBL2285235 0.87 PPARA (0.40) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL14206102 0.86 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5TAOK1
SCHEMBL1473439 0.84 CTSD (0.41) S1PR1S1PR3S1PR4S1PR5TAOK1
SCHEMBL12749385 0.82 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5TAOK1
SCHEMBL2011162 0.82 PPARA (0.42) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL2285244 0.80 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL2011165 0.75 PRKCG (0.35) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL2805053 0.75 PPARA (0.47) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL3844078 0.73 THRA (0.40) S1PR1S1PR3S1PR4S1PR5TAOK1
SCHEMBL1473437 0.71 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5TAOK1

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-7915315-B2 Benzocycloheptyl analogs having sphingosine 1-phosphate receptor activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-03-29 — — US disclosed
US-7915315-B2 Benzocycloheptyl analogs having sphingosine 1-phosphate receptor activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-03-29 — — US disclosed
US-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 — — US disclosed
US-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 — — US disclosed
EP-2097371-A2 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY University Of Virginia Patent Foundation (US) 2009-09-09 — — EP disclosed
WO-2008064337-A2 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 — — 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-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY S1PR1, S1PR4, S1PR2 S1PR1 1/4885S1PR3 4/4885S1PR4 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.

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