SCHEMBL433303

SCHEMBL433303

O=C(O)/C=C/CC1(c2ccccc2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.50
LMNA P02545 6/20 0.48
DPP4 P27487 1/20 0.47
RXRA P19793 1/20 0.47
RXRG P48443 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.43
AKR1C1 Q04828 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD11B1 P28845 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL433304 1.00 SLC6A4 (0.50) SLC6A4LMNADPP4RXRARXRG
SCHEMBL881545 0.82 MAPT (0.47) SLC6A4LMNARXRARXRGL3MBTL1
SCHEMBL432476 0.78 DPP4 (0.55) SLC6A4LMNADPP4L3MBTL1SMN1; SMN2
SCHEMBL8107358 0.75 DPP4 (0.57) SLC6A4LMNADPP4L3MBTL1SMN1; SMN2
SCHEMBL5365797 0.74 HSD11B1 (0.72) SLC6A4LMNADPP4L3MBTL1SMN1; SMN2
SCHEMBL251313 0.74 DPP4 (0.55) SLC6A4LMNADPP4SLC6A2SLC6A3
SCHEMBL28010972 0.73 SLC6A4 (0.43) SLC6A4LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL16986559 0.73 SLC6A4 (0.45) SLC6A4LMNADPP4L3MBTL1SMN1; SMN2
SCHEMBL16986557 0.73 SLC6A4 (0.45) SLC6A4LMNADPP4L3MBTL1SMN1; SMN2
SCHEMBL876785 0.73 AKR1C1 (0.36) LMNARXRARXRGL3MBTL1SMN1; SMN2

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 10 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
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
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US 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
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-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 2567/4885LMNA 2102/4885DPP4 4283/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 SLC6A4 2698/4885LMNA 3079/4885DPP4 3949/4885

“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.