SCHEMBL1226028

SCHEMBL1226028

FC(F)(F)c1c(-c2ccccc2)noc1-c1nc(-c2ccc(C3CO3)cc2)no1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.59
S1PR3 Q99500 6/20 0.59
KCNH2 Q12809 2/20 0.59
S1PR4 O95977 2/20 0.51
S1PR5 Q9H228 2/20 0.51
CYP2C8 P10632 1/20 0.50

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
SCHEMBL1227451 1.00 S1PR1 (0.59) S1PR1S1PR3KCNH2S1PR4S1PR5
SCHEMBL1226531 0.86 S1PR1 (0.51) S1PR1S1PR3KCNH2
SCHEMBL12385596 0.83 S1PR1 (0.57) S1PR1S1PR3KCNH2S1PR5
SCHEMBL1226795 0.80 S1PR1 (0.57) S1PR1S1PR3KCNH2
SCHEMBL2576832 0.76 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL2576041 0.76 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL2576829 0.76 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL12288600 0.75 S1PR1 (0.65) S1PR1S1PR3KCNH2S1PR4S1PR5
SCHEMBL1227372 0.75 S1PR1 (0.67) S1PR1S1PR3KCNH2S1PR4S1PR5
SCHEMBL2565417 0.75 S1PR1 (0.55) S1PR1S1PR3KCNH2

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
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
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 2/4885KCNH2 473/4885

“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.