SCHEMBL1226183

SCHEMBL1226183

CCOC(=O)C[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4noc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.83
S1PR3 Q99500 18/20 0.83
S1PR4 O95977 2/20 0.75
S1PR5 Q9H228 2/20 0.75
CYP2C8 P10632 1/20 0.75
KCNH2 Q12809 1/20 0.75

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
SCHEMBL1226567 0.91 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL1226557 0.89 S1PR1 (0.84) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL12385555 0.86 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL12385537 0.86 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL1226901 0.86 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL1227185 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL1227193 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL1227593 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL1227189 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5CYP2C8
SCHEMBL16354033 0.85 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
EP-2462139-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2012-06-13 EP disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 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-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 S1PR1 1/4885S1PR3 2/4885S1PR4 5/4885

“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.