SCHEMBL2015617

SCHEMBL2015617

CCCCCCCCc1ccc2c(c1)CC(C(N)C(=O)O)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.46
S1PR2 O95136 2/20 0.46
S1PR3 Q99500 6/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARA Q07869 2/20 0.45
S1PR4 O95977 3/20 0.44
S1PR5 Q9H228 3/20 0.44
HTR2A P28223 2/20 0.44
DRD2 P14416 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
PPARG P37231 1/20 0.42
PRKD3 O94806 2/20 0.42
PRKCG P05129 2/20 0.42
PRKCB P05771 2/20 0.42
PRKCA P17252 2/20 0.42
PRKCH P24723 2/20 0.42
PRKCI P41743 2/20 0.42
PRKCE Q02156 2/20 0.42

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
SCHEMBL5953063 0.91 S1PR1 (0.51) S1PR1S1PR2S1PR3KAT8PPARA
SCHEMBL2284671 0.91 S1PR1 (0.51) S1PR1S1PR2S1PR3KAT8PPARA
SCHEMBL2010771 0.82 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5HTR2A
SCHEMBL13954517 0.79 S1PR1 (0.49) S1PR1S1PR3KAT8PPARAS1PR4
SCHEMBL11497493 0.79 S1PR3 (0.53) S1PR1S1PR3KAT8PPARAS1PR4
SCHEMBL13942299 0.76 S1PR1 (0.50) S1PR1S1PR3S1PR4S1PR5HTR2A
SCHEMBL2288841 0.76 S1PR3 (0.52) S1PR1S1PR3S1PR4S1PR5HTR2A
SCHEMBL5953439 0.76 S1PR3 (0.52) S1PR1S1PR3S1PR4S1PR5HTR2A
SCHEMBL13942300 0.76 S1PR3 (0.52) S1PR1S1PR3S1PR4S1PR5HTR2A
SCHEMBL13941700 0.76 S1PR3 (0.52) S1PR1S1PR3S1PR4S1PR5HTR2A

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-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
EP-2099741-A2 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY University Of Virginia Patent Foundation (US) 2009-09-16 EP disclosed
WO-2008064320-A2 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST 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-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR2 3/4885S1PR3 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.