SCHEMBL872447

SCHEMBL872447

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.50
CACNA1G O43497 1/20 0.41
SLC6A3 Q01959 8/20 0.41
SLC6A4 P31645 7/20 0.41
S1PR1 P21453 2/20 0.40
SLC6A2 P23975 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP2C8 P10632 1/20 0.35
EPHX2 P34913 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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 0.84 HSD11B1 (0.71) HSD11B1CACNA1GSLC6A3SLC6A4S1PR1
SCHEMBL14944333 0.82 SLC6A4 (0.40) HSD11B1CACNA1GSLC6A3SLC6A4S1PR1
SCHEMBL437413 0.81 EPHX2 (0.43) HSD11B1CACNA1GSLC6A3SLC6A4SLC6A2
SCHEMBL433244 0.80 SLC6A3 (0.59) HSD11B1CACNA1GSLC6A3SLC6A4S1PR1
SCHEMBL436643 0.78 DPP4 (0.52) HSD11B1CACNA1GSLC6A3SLC6A4SLC6A2
SCHEMBL12653435 0.77 PSEN1 (0.38) HSD11B1SLC6A3SLC6A4S1PR1SLC6A2
SCHEMBL8485828 0.76 DPP4 (0.53) HSD11B1SLC6A3SLC6A4SLC6A2CYP2C8
SCHEMBL12000526 0.76 SLC6A3 (0.45) HSD11B1SLC6A3SLC6A4S1PR1SLC6A2
SCHEMBL435013 0.75 HSD11B1 (0.68) HSD11B1CACNA1GSLC6A3SLC6A4S1PR1
SCHEMBL18440285 0.73 EPHX2 (0.52) HSD11B1SLC6A3SLC6A4SLC6A2CYP2C8

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
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-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS Bristol-Myers Squibb Company (US) 2013-07-31 EP disclosed
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-25 US disclosed
WO-2012040532-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 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 (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-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 HSD11B1 623/4885CACNA1G 1345/4885SLC6A3 2098/4885

“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.