SCHEMBL436643

SCHEMBL436643

O=C(O)CCC1(c2ccccc2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
LMNA P02545 5/20 0.51
CYP2C8 P10632 1/20 0.51
EPHX2 P34913 1/20 0.51
SLC6A4 P31645 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD11B1 P28845 1/20 0.50
AKR1C1 Q04828 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CACNA1G O43497 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL8485828 0.98 DPP4 (0.53) DPP4LMNACYP2C8EPHX2SLC6A4
SCHEMBL18440285 0.95 EPHX2 (0.52) DPP4LMNACYP2C8EPHX2SLC6A4
SCHEMBL8484287 0.91 MAOA (0.50) DPP4LMNACYP2C8EPHX2L3MBTL1
SCHEMBL433785 0.90 EPHX2 (0.53) DPP4LMNACYP2C8EPHX2SLC6A4
SCHEMBL7213217 0.86 EPHX2 (0.53) DPP4LMNAEPHX2SLC6A4L3MBTL1
SCHEMBL435334 0.85 HSD11B1 (0.71) SLC6A4SLC6A2SLC6A3HSD11B1CACNA1G
SCHEMBL16986143 0.83 TACR1 (0.49) CYP2C8EPHX2SLC6A4
SCHEMBL5365797 0.81 HSD11B1 (0.72) DPP4LMNAEPHX2SLC6A4L3MBTL1
Hydrochloric Acid SCHEMBL11526870 0.80 HSD11B1 (0.70) DPP4LMNAEPHX2SLC6A4L3MBTL1
SCHEMBL8484148 0.80 GAA (0.50) DPP4LMNASLC6A4L3MBTL1MEN1

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 27 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-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
US-6060484-A Anti-viral method ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
WO-1997041846-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-11-13 WO disclosed
EP-0806205-A2 Urea, thiourea and guanidine compounds and their use as anti-viral agents ELI LILLY AND COMPANY (US) 1997-11-12 EP 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 DPP4 3949/4885LMNA 3079/4885CYP2C8 2664/4885

“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.