SCHEMBL409067

SCHEMBL409067

CC(C)(C)OC(=O)C1CN(Cc2ccc(C(N)=NO)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
S1PR5 Q9H228 13/20 0.40
S1PR1 P21453 12/20 0.40
S1PR3 Q99500 4/20 0.38
GAA P10253 1/20 0.38
S1PR4 O95977 1/20 0.38

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
SCHEMBL410000 1.00 SIRT2 (0.41) SIRT2SIRT1S1PR5S1PR1S1PR3
SCHEMBL409928 1.00 SIRT2 (0.41) SIRT2SIRT1S1PR5S1PR1S1PR3
SCHEMBL1336657 0.86 S1PR1 (0.44) S1PR5S1PR1
SCHEMBL1336659 0.86 S1PR1 (0.44) S1PR5S1PR1
SCHEMBL1336658 0.86 S1PR1 (0.44) S1PR5S1PR1
SCHEMBL14615203 0.85 S1PR1 (0.36) SIRT2SIRT1S1PR5S1PR1S1PR3
SCHEMBL2570015 0.85 S1PR5 (0.40) S1PR5S1PR1GAA
SCHEMBL13284491 0.85 S1PR5 (0.40) S1PR5S1PR1GAA
SCHEMBL2570014 0.85 S1PR5 (0.40) S1PR5S1PR1GAA
SCHEMBL2568870 0.82 DDR1 (0.35) SIRT2SIRT1S1PR5S1PR1

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 17 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
US-8404672-B2 Substituted heterocyclic compounds BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-8389509-B2 Substituted pyrazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 US disclosed
US-8354398-B2 Substituted isoxazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
EP-2382211-B1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
US-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 US disclosed
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 US disclosed
EP-2389377-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2011-11-30 EP disclosed
US-20110275610-A1 SUBSTITUTED PYRAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
EP-2382212-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2011-11-02 EP disclosed
EP-2382211-A1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS Bristol-Myers Squibb Company (US) 2011-11-02 EP disclosed
US-8038731-B2 hair dyes contains naphthylimide thiol or disulphide groups; resistant and visible lightening effect on dark keratin fibres; cosmetics L'OREAL S.A. (FR) 2011-10-18 US disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
WO-2010085584-A1 PYRAZOLE-I, 2, 4 -OXAD IAZOLE DERIVATIVES AS S.PHING0SINE-1-PH0SPHATE AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
WO-2010085582-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 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 (4 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-20110275610-A1 SUBSTITUTED PYRAZOLE COMPOUNDS S1PR3, S1PR1, S1PR4 SIRT2 2599/4885SIRT1 2047/4885S1PR5 4/4885
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS S1PR4, S1PR3, S1PR1 SIRT2 3009/4885SIRT1 2728/4885S1PR5 4/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 SIRT2 2137/4885SIRT1 1464/4885S1PR5 4/4885
US-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS S1PR1, S1PR4, S1PR3 SIRT2 1869/4885SIRT1 1444/4885S1PR5 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.