SCHEMBL2285235

SCHEMBL2285235

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ S1PR1 P21453 5/20 0.38
▸ S1PR3 Q99500 5/20 0.38
▸ S1PR4 O95977 2/20 0.38
▸ S1PR5 Q9H228 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PRKD3 O94806 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCH P24723 1/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ PRKCE Q02156 1/20 0.35

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
SCHEMBL2011162 0.92 PPARA (0.42) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL1471074 0.87 S1PR1 (0.36) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL2805053 0.86 PPARA (0.47) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL13954369 0.84 ALDH1A1 (0.36) MEN1MAPTKMT2ATHRBCYP2C9
SCHEMBL2285244 0.84 S1PR1 (0.37) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL2283157 0.81 S1PR1 (0.54) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL2283468 0.80 PPARA (0.43) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL2008551 0.79 S1PR1 (0.46) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL2011165 0.75 PRKCG (0.35) PPARAPPARGS1PR1S1PR3S1PR4
SCHEMBL14206102 0.74 S1PR1 (0.42) PPARAPPARGS1PR1S1PR3S1PR4

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 12 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
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
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
EP-1987013-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-11-05 — — EP disclosed
WO-2007092638-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-08-16 — — 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 (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 PPARA 1155/4885PPARG 1650/4885S1PR1 1/4885
US-20110195936-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 PPARA 1155/4885PPARG 1650/4885S1PR1 1/4885
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 PPARA 1155/4885PPARG 1650/4885S1PR1 1/4885

“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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