Sugi Predict

Sugi Predict / Compounds / SCHEMBL407731

SCHEMBL407731

SCHEMBL407731

CC(C)(C)OC(=O)C1CN(Cc2ccc(C#N)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.47
▸ DPP8 Q6V1X1 1/20 0.47
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP2D6 P10635 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ TNK2 Q07912 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ MLNR O43193 1/20 0.43
▸ S1PR1 P21453 9/20 0.43
▸ S1PR5 Q9H228 8/20 0.43
▸ S1PR3 Q99500 4/20 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
SCHEMBL1333812 0.85 CYP3A4 (0.54) DPP4DPP8CYP3A4CYP2C19ALDH1A1
SCHEMBL2573548 0.83 S1PR1 (0.43) DPP4ALDH1A1S1PR1S1PR5
SCHEMBL1226235 0.82 GRIN1 (0.51) ALDH1A1MEN1KMT2AGPR119
SCHEMBL25173575 0.82 S1PR5 (0.56) ALDH1A1KMT2AS1PR1S1PR5
SCHEMBL14615204 0.82 DPP4 (0.52) DPP4DPP8S1PR1S1PR5
SCHEMBL16616368 0.81 GPR119 (0.50) DPP4DPP8CYP3A4CYP2C19ALDH1A1
SCHEMBL16627299 0.81 GPR119 (0.50) DPP4DPP8CYP3A4CYP2C19ALDH1A1
SCHEMBL16627095 0.81 AR (0.47) DPP4DPP8CYP3A4CYP2C19ALDH1A1
SCHEMBL1226213 0.81 GRIN2B (0.49) GPR119
SCHEMBL10111537 0.80 S1PR1 (0.42) S1PR1S1PR5S1PR3

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 40 patents — showing the first 20. 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
EP-2595969-B1 Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO (US) 2015-04-22 — — EP disclosed
CN-103124727-B Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO 2015-03-25 — — CN disclosed
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 — — US 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-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
US-8404672-B2 Substituted heterocyclic compounds BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-03-26 — — US disclosed
US-8404672-B2 Substituted heterocyclic compounds BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-03-26 — — US 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-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-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
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-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 (2 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 DPP4 1662/4885DPP8 3091/4885CYP3A4 1687/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 DPP4 3949/4885DPP8 4072/4885CYP3A4 2293/4885

“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.