SCHEMBL2619451

SCHEMBL2619451

[C-]#[N+]c1cc(-c2nc(-c3ccc(OCCCC(=O)OCC)cc3F)no2)ccc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 10/20 0.49
S1PR5 Q9H228 10/20 0.49
S1PR1 P21453 10/20 0.49
HRH3 Q9Y5N1 8/20 0.44
PTPN1 P18031 1/20 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
SCHEMBL2619464 0.92 S1PR1 (0.46) S1PR3S1PR5S1PR1PTPN1
SCHEMBL2619452 0.92 S1PR1 (0.49) S1PR3S1PR5S1PR1HRH3PTPN1
SCHEMBL2619476 0.91 S1PR1 (0.56) S1PR3S1PR5S1PR1HRH3
SCHEMBL2619453 0.90 S1PR1 (0.44) S1PR3S1PR5S1PR1PTPN1
SCHEMBL2619463 0.89 S1PR1 (0.46) S1PR3S1PR5S1PR1PTPN1
SCHEMBL2134634 0.86 S1PR1 (0.57) S1PR3S1PR5S1PR1
SCHEMBL2631495 0.86 S1PR1 (0.49) S1PR3S1PR5S1PR1HRH3
SCHEMBL2619477 0.85 S1PR1 (0.54) S1PR3S1PR5S1PR1HRH3
SCHEMBL2133217 0.84 S1PR1 (0.56) S1PR3S1PR5S1PR1
SCHEMBL2619461 0.83 S1PR1 (0.46) S1PR3S1PR5S1PR1PTPN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 S1PR3 3/4885S1PR5 2/4885S1PR1 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.