SCHEMBL2009668

SCHEMBL2009668

CCCCCCCCc1ccc2c(c1)CC(C(CO)(CO)NC(C)=O)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 9/20 0.49
▸ S1PR3 Q99500 6/20 0.49
▸ S1PR4 O95977 3/20 0.49
▸ S1PR5 Q9H228 3/20 0.49
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C8 P10632 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KAT8 Q9H7Z6 2/20 0.41
▸ TNNC1 P63316 5/20 0.40
▸ SGPL1 O95470 1/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ CERS2 Q96G23 1/20 0.40
▸ PRKD3 O94806 2/20 0.40
▸ PRKCG P05129 2/20 0.40
▸ PRKCB P05771 2/20 0.40
▸ PRKCA P17252 2/20 0.40
▸ PRKCH P24723 2/20 0.40
▸ PRKCI P41743 2/20 0.40

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
SCHEMBL2288241 0.91 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL1473437 0.90 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2012128 0.87 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL13645061 0.86 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2008551 0.81 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2012129 0.79 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL2011716 0.78 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL14207981 0.78 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL14207629 0.78 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL14208618 0.77 S1PR1 (0.58) 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 4 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

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 1/4885S1PR3 2/4885S1PR4 4/4885

“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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