SCHEMBL5953439

SCHEMBL5953439

CCCCCCCCc1ccc2c(c1)CCC(C(N)CO)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 5/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
S1PR1 P21453 8/20 0.51
S1PR4 O95977 3/20 0.51
S1PR5 Q9H228 3/20 0.51
PRKD3 O94806 3/20 0.44
PRKCG P05129 3/20 0.44
PRKCB P05771 3/20 0.44
PRKCA P17252 3/20 0.44
PRKCH P24723 3/20 0.44
PRKCI P41743 3/20 0.44
PRKCE Q02156 3/20 0.44
PRKCQ Q04759 3/20 0.44
PRKCZ Q05513 3/20 0.44
PRKCD Q05655 3/20 0.44
PRKD1 Q15139 3/20 0.44

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
SCHEMBL2288841 1.00 S1PR3 (0.52) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13942300 1.00 S1PR3 (0.52) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13941700 1.00 S1PR3 (0.52) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL5952458 0.90 S1PR1 (0.49) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL2010771 0.90 S1PR1 (0.47) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13942299 0.86 S1PR1 (0.50) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL14457017 0.86 S1PR3 (0.50) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL5953063 0.84 S1PR1 (0.51) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL2284671 0.84 S1PR1 (0.51) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13165352 0.83 S1PR1 (0.63) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9

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-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
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
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 S1PR3 3/4885CYP3A4 4138/4885CYP2C8 4266/4885
US-20110195936-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR3 3/4885CYP3A4 4138/4885CYP2C8 4266/4885
US-20100240617-A1 BICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR4, S1PR3 S1PR3 3/4885CYP3A4 4138/4885CYP2C8 4266/4885

“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.