SCHEMBL437413

SCHEMBL437413

O=C(O)CCC1(c2cc(Cl)cc(Cl)c2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.43
CYP2C8 P10632 1/20 0.43
KCNK2 O95069 1/20 0.41
CYP2C9 P11712 1/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
HSD11B1 P28845 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
CCKBR P32239 2/20 0.38
SLC6A2 P23975 2/20 0.37
FABP4 P15090 1/20 0.36
CACNA1G O43497 1/20 0.36

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
SCHEMBL14944334 0.82 L3MBTL1 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL872447 0.81 HSD11B1 (0.50) EPHX2CYP2C8SLC6A4SLC6A3HSD11B1
SCHEMBL9466395 0.80 SLC6A4 (0.54) EPHX2CYP2C8CYP2C9SLC6A4SLC6A3
SCHEMBL1805474 0.80 KAT2B (0.36) SLC6A4SLC6A3SLC6A2
SCHEMBL436643 0.78 DPP4 (0.52) EPHX2CYP2C8SLC6A4SLC6A3HSD11B1
SCHEMBL433244 0.77 SLC6A3 (0.59) EPHX2SLC6A4SLC6A3HSD11B1SLC6A2
SCHEMBL12653434 0.77 L3MBTL1 (0.43) EPHX2SLC6A4SLC6A3FFAR4SLC6A2
SCHEMBL12000527 0.76 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL8485828 0.76 DPP4 (0.53) EPHX2CYP2C8SLC6A4SLC6A3HSD11B1
SCHEMBL435378 0.75 ALDH1A1 (0.51) EPHX2CYP2C8CYP2C9SLC6A4SLC6A3

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 6 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
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-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 EPHX2 1646/4885CYP2C8 2664/4885KCNK2 453/4885

“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.