SCHEMBL408012

SCHEMBL408012

N#Cc1ccc(CN2CC(C(=O)O)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 16/20 0.63
S1PR1 P21453 14/20 0.63
TNK2 Q07912 1/20 0.60
DPP4 P27487 1/20 0.57
DPP8 Q6V1X1 1/20 0.57
S1PR3 Q99500 6/20 0.56
S1PR4 O95977 1/20 0.56

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
SCHEMBL3036760 0.84 S1PR1 (0.53) S1PR5S1PR1TNK2DPP4DPP8
SCHEMBL3027797 0.83 S1PR5 (0.70) S1PR5S1PR1TNK2S1PR3S1PR4
SCHEMBL1333812 0.82 CYP3A4 (0.54) S1PR1TNK2DPP4DPP8
SCHEMBL2570065 0.80 S1PR5 (0.59) S1PR5S1PR1S1PR3S1PR4
SCHEMBL16695243 0.80 S1PR5 (0.82) S1PR5S1PR1S1PR3S1PR4
SCHEMBL3041698 0.80 S1PR5 (0.53) S1PR5S1PR1S1PR3S1PR4
SCHEMBL565212 0.80 S1PR5 (0.87) S1PR5S1PR1S1PR3S1PR4
SCHEMBL407731 0.79 DPP4 (0.47) S1PR5S1PR1TNK2DPP4DPP8
SCHEMBL1226887 0.79 POLB (0.58) S1PR5
SCHEMBL992857 0.79 S1PR5 (0.76) S1PR5S1PR1S1PR3S1PR4

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-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
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 S1PR5 4/4885S1PR1 2/4885TNK2 1351/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 S1PR5 4/4885S1PR1 1/4885TNK2 621/4885

“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.