SCHEMBL2283157

SCHEMBL2283157

CCCCCCCCc1ccc2c(c1)CCC(C(NC(C)=O)(C(=O)OCC)C(=O)OCC)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.54
▸ S1PR3 Q99500 5/20 0.54
▸ S1PR4 O95977 2/20 0.54
▸ S1PR5 Q9H228 2/20 0.54
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ DRD3 P35462 5/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ PPARA Q07869 3/20 0.41
▸ PPARG P37231 2/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 1/20 0.36

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
SCHEMBL2008551 0.92 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL12749385 0.87 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2807971 0.85 S1PR1 (0.61) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2283164 0.84 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL13954516 0.84 ALDH1A1 (0.38) S1PR1S1PR3S1PR4S1PR5CYP2C9
SCHEMBL2812717 0.83 S1PR1 (0.64) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2804904 0.82 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2288241 0.82 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2283468 0.82 PPARA (0.43) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2285235 0.81 PPARA (0.40) S1PR1S1PR3S1PR4S1PR5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173710-B2 Bicyclic sphingosine 1-phosphate analogs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-08 — — US disclosed
US-8173710-B2 Bicyclic sphingosine 1-phosphate analogs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-08 — — US disclosed
US-20110195936-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-11 — — US disclosed
US-20110195936-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-11 — — US disclosed
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-09-23 — — US disclosed
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-09-23 — — US disclosed
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-09-23 — — US disclosed
EP-2190852-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS University Of Virginia Patent Foundation (US) 2010-06-02 — — EP disclosed
WO-2009023854-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-19 — — WO disclosed
WO-2009023854-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-19 — — WO disclosed
US-20090042955-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-02-12 — — US disclosed
US-20090042955-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-02-12 — — US disclosed
US-20090042955-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-02-12 — — 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 (3 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-20090042955-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 2/4885
US-20110195936-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 2/4885
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 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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