SCHEMBL433244

SCHEMBL433244

O=C(O)CCC1(c2ccc(F)c(F)c2)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.59
SLC6A4 P31645 8/20 0.59
SLC6A2 P23975 5/20 0.55
HSD11B1 P28845 3/20 0.50
CACNA1G O43497 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
CCR2 P41597 1/20 0.39
EPHX2 P34913 2/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL435334 0.83 HSD11B1 (0.71) SLC6A3SLC6A4SLC6A2HSD11B1CACNA1G
SCHEMBL435377 0.81 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2HSD11B1MCHR1
SCHEMBL872447 0.80 HSD11B1 (0.50) SLC6A3SLC6A4SLC6A2HSD11B1CACNA1G
SCHEMBL8976416 0.78 SLC6A3 (0.66) SLC6A3SLC6A4SLC6A2S1PR1S1PR3
SCHEMBL436643 0.78 DPP4 (0.52) SLC6A3SLC6A4SLC6A2HSD11B1CACNA1G
SCHEMBL881549 0.78 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2HSD11B1S1PR1
SCHEMBL437413 0.77 EPHX2 (0.43) SLC6A3SLC6A4SLC6A2HSD11B1CACNA1G
SCHEMBL8485828 0.76 DPP4 (0.53) SLC6A3SLC6A4SLC6A2HSD11B1EPHX2
SCHEMBL435013 0.75 HSD11B1 (0.68) SLC6A3SLC6A4SLC6A2HSD11B1CACNA1G
SCHEMBL8977226 0.75 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2S1PR1S1PR3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
CN-103237795-B Substituted oxadiazole compounds and their use as S1P1Use of agonists BRISTOL-MYERS SQUIBB CO. (US) 2015-10-21 CN disclosed
EP-2619190-B1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
EP-2619190-B1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
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-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-25 US disclosed
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-25 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
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
CN-103124727-A Substituted 3-phenyl-1,2,4-oxadiazole compounds BRISTOL MYERS SQUIBB CO 2013-05-29 CN disclosed
WO-2012040532-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO 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 (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-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 SLC6A3 2098/4885SLC6A4 2567/4885SLC6A2 2022/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 SLC6A3 2766/4885SLC6A4 2698/4885SLC6A2 2889/4885

“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.