SCHEMBL433332

SCHEMBL433332

O=C(O)COCC1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 3/20 0.45
HSD11B1 P28845 5/20 0.44
ALDH1A1 P00352 1/20 0.43
SLC6A2 P23975 2/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
S1PR1 P21453 3/20 0.41
EPHX2 P34913 3/20 0.40
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CNR1 P21554 1/20 0.39
HDAC4 P56524 1/20 0.39
CYP2C8 P10632 1/20 0.39
CCR2 P41597 1/20 0.38

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
SCHEMBL436606 0.94 HSD11B1 (0.45) SLC6A4SLC6A3HSD11B1ALDH1A1SLC6A2
SCHEMBL15023086 0.83 SLC6A4 (0.50) SLC6A4SLC6A3HSD11B1SLC6A2PTGDR
SCHEMBL435746 0.81 DRD2 (0.41) SLC6A4SLC6A3HSD11B1ALDH1A1SLC6A2
SCHEMBL435386 0.81 HSD11B1 (0.66) SLC6A4SLC6A3HSD11B1ALDH1A1SLC6A2
SCHEMBL624643 0.79 HSD11B1 (0.63) SLC6A4SLC6A3HSD11B1ALDH1A1SLC6A2
SCHEMBL15043699 0.78 SLC6A4 (0.50) SLC6A4SLC6A3ALDH1A1SLC6A2HTR2C
SCHEMBL3633468 0.76 HSD11B1 (0.68) SLC6A4SLC6A3HSD11B1ALDH1A1SLC6A2
SCHEMBL12836587 0.74 SLC6A4 (0.54) SLC6A4SLC6A3HSD11B1ALDH1A1SLC6A2
SCHEMBL15042324 0.74 SLC6A4 (0.46) SLC6A4SLC6A3ALDH1A1SLC6A2HTR2C
SCHEMBL7177946 0.72 ALDH1A1 (0.61) SLC6A4SLC6A3HSD11B1ALDH1A1SLC6A2

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 22 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
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
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-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
WO-2012040532-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO 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 SLC6A4 2567/4885SLC6A3 2098/4885HSD11B1 623/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 SLC6A4 2698/4885SLC6A3 2766/4885HSD11B1 983/4885

“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.