SCHEMBL1473439

SCHEMBL1473439

CCCCCCCCc1ccc2c(c1)C(C(NC(C)=O)(C(=O)OC)C(=O)OC)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ TAOK1 Q7L7X3 3/20 0.39
▸ TAOK3 Q9H2K8 3/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ S1PR1 P21453 5/20 0.38
▸ S1PR3 Q99500 4/20 0.38
▸ S1PR4 O95977 2/20 0.38
▸ S1PR5 Q9H228 2/20 0.38

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
SCHEMBL1471074 0.84 S1PR1 (0.36) CTSDBACE1PPARGPPARATAOK1
SCHEMBL12749385 0.82 S1PR1 (0.50) CTSDBACE1PPARGPPARATAOK1
SCHEMBL2285235 0.72 PPARA (0.40) PPARGPPARAS1PR1S1PR3S1PR4
SCHEMBL2283157 0.72 S1PR1 (0.54) PPARGPPARAS1PR1S1PR3S1PR4
SCHEMBL1473437 0.71 S1PR1 (0.52) CTSDBACE1TAOK1TAOK3EPHX1
SCHEMBL2283468 0.71 PPARA (0.43) PPARGPPARAS1PR1S1PR3S1PR4
SCHEMBL2008551 0.71 S1PR1 (0.46) PPARGPPARAS1PR1S1PR3S1PR4
SCHEMBL2011162 0.71 PPARA (0.42) PPARGPPARAS1PR1S1PR3S1PR4
SCHEMBL14206102 0.71 S1PR1 (0.42) PPARGPPARATAOK1TAOK3EPHX1
SCHEMBL13645061 0.70 S1PR1 (0.52) CTSDBACE1TAOK1TAOK3EPHX1

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 2 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-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 — — 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-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY S1PR1, S1PR4, S1PR2 CTSD 3273/4885BACE1 2180/4885PPARG 769/4885

“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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