SCHEMBL459650

SCHEMBL459650

CC(C)(C)OC(=O)C1CN(Cc2ccc(-c3noc(CCC4(c5cccc(C(F)(F)F)c5)CCOCC4)n3)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.59
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
S1PR5 Q9H228 6/20 0.42
S1PR4 O95977 5/20 0.42
S1PR3 Q99500 5/20 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
SCHEMBL436579 0.90 S1PR1 (0.73) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16649407 0.86 S1PR1 (0.60) S1PR1MAPTTSHRHTTSMN1; SMN2
SCHEMBL459740 0.83 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL435271 0.82 S1PR1 (0.65) S1PR1S1PR5S1PR4S1PR3
SCHEMBL459821 0.81 S1PR1 (0.66) S1PR1S1PR5S1PR4S1PR3
SCHEMBL436580 0.81 S1PR1 (0.49) S1PR1MAPTTSHRHTTSMN1; SMN2
SCHEMBL16649359 0.78 S1PR1 (0.54) S1PR1S1PR5S1PR4S1PR3
SCHEMBL461254 0.75 S1PR1 (0.86) S1PR1S1PR5S1PR4S1PR3
SCHEMBL459572 0.75 S1PR1 (0.58) S1PR1MAPTTSHRHTTS1PR5
SCHEMBL460059 0.75 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3

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 5 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 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 1/4885MAPT 4795/4885TSHR 612/4885

“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.