SCHEMBL459685

SCHEMBL459685

O=C(O)C1CN(Cc2ccc(-c3noc(/C=C/C4(c5cccc(C(F)(F)F)c5)CCOCC4)n3)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.72
S1PR5 Q9H228 8/20 0.51
S1PR3 Q99500 7/20 0.49
S1PR4 O95977 6/20 0.49
KCNH2 Q12809 1/20 0.48
GRK5 P34947 1/20 0.47
CDK8 P49336 1/20 0.47

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
SCHEMBL459686 1.00 S1PR1 (0.72) S1PR1S1PR5S1PR3S1PR4KCNH2
SCHEMBL16649335 0.91 S1PR1 (0.59) S1PR1S1PR5S1PR3S1PR4KCNH2
SCHEMBL460888 0.84 S1PR1 (1.00) S1PR1S1PR5S1PR3S1PR4KCNH2
SCHEMBL15023402 0.84 S1PR1 (0.74) S1PR1S1PR5S1PR3S1PR4
SCHEMBL15023403 0.84 S1PR1 (0.74) S1PR1S1PR5S1PR3S1PR4
SCHEMBL460887 0.84 S1PR1 (1.00) S1PR1S1PR5S1PR3S1PR4KCNH2
SCHEMBL460081 0.82 S1PR1 (0.82) S1PR1S1PR5S1PR3S1PR4
SCHEMBL460080 0.82 S1PR1 (0.82) S1PR1S1PR5S1PR3S1PR4
SCHEMBL436579 0.82 S1PR1 (0.73) S1PR1S1PR5S1PR3S1PR4KCNH2
SCHEMBL435271 0.80 S1PR1 (0.65) S1PR1S1PR5S1PR3S1PR4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP claimed
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US claimed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US claimed
EP-2595969-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-29 EP claimed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO claimed
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 EP disclosed
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
EP-2595969-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-29 EP disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 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-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR5 4/4885S1PR3 2/4885

“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.