SCHEMBL2283476

SCHEMBL2283476

CCCCCCCCc1ccc2c(c1)CCC(C(NC(C)=O)(C(=O)O)C(=O)OC(C)CC)C2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.38
▸ S1PR3 Q99500 5/20 0.38
▸ S1PR4 O95977 2/20 0.38
▸ S1PR5 Q9H228 2/20 0.38
▸ PPARG P37231 3/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ 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
▸ PRKCQ Q04759 1/20 0.35
▸ PRKCZ Q05513 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ PRKD1 Q15139 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ SLC6A2 P23975 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
SCHEMBL2283164 0.85 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL2283468 0.84 PPARA (0.43) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL2285244 0.83 S1PR1 (0.37) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL2008554 0.82 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL2011165 0.80 PRKCG (0.35) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL2283033 0.73 TUBB4A (0.36) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL2809252 0.73 S1PR1 (0.55) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL2805057 0.72 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL16013113 0.71 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5SPHK1
SCHEMBL2283157 0.70 S1PR1 (0.54) S1PR1S1PR3S1PR4S1PR5PPARG

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 4 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-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-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.

Send feedback