SCHEMBL436606

SCHEMBL436606

O=C(O)COCC1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CNR1 P21554 1/20 0.43
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
TACR1 P25103 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
PTGDR Q13258 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ATF4 P18848 1/20 0.38
HRH1 P35367 3/20 0.38
SLC6A2 P23975 3/20 0.38
PTGIR P43119 2/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 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
SCHEMBL433332 0.94 SLC6A4 (0.45) HSD11B1ALDH1A1CNR1SLC6A4SLC6A3
SCHEMBL7177946 0.78 ALDH1A1 (0.61) HSD11B1ALDH1A1CNR1SLC6A4SLC6A3
SCHEMBL435386 0.77 HSD11B1 (0.66) HSD11B1ALDH1A1SLC6A4SLC6A3TACR1
SCHEMBL15023086 0.77 SLC6A4 (0.50) HSD11B1SLC6A4SLC6A3TACR1PTGDR
SCHEMBL15043643 0.76 SLC6A4 (0.45) ALDH1A1SLC6A4SLC6A3TACR1TDP1
SCHEMBL435746 0.75 DRD2 (0.41) HSD11B1ALDH1A1SLC6A4SLC6A3TACR1
SCHEMBL435378 0.75 ALDH1A1 (0.51) HSD11B1ALDH1A1CNR1SLC6A4SLC6A3
SCHEMBL12883227 0.73 SLC6A4 (0.49) HSD11B1ALDH1A1CNR1SLC6A4SLC6A3
SCHEMBL10179282 0.72 SLC6A4 (0.41) ALDH1A1SLC6A4SLC6A3TACR1SLC6A2
SCHEMBL624643 0.71 HSD11B1 (0.63) HSD11B1ALDH1A1CNR1SLC6A4SLC6A3

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 5 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
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 HSD11B1 983/4885ALDH1A1 1493/4885CNR1 9/4885

“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.