SCHEMBL433709

SCHEMBL433709

CCOC(=O)CCC1(c2cccc(C(F)(F)F)c2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 2/20 0.42
SLC6A2 P23975 1/20 0.42
CCR2 P41597 2/20 0.41
KCNN4 O15554 1/20 0.40
OPRM1 P35372 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
EPHX2 P34913 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
ICMT O60725 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX7 Q99572 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
SCHEMBL436892 0.84 EPHX2 (0.52) SLC6A4SLC6A3SLC6A2CCR2OPRM1
SCHEMBL700207 0.81 TACR1 (0.54) EPHX2TRPV4SMN1; SMN2ALDH1A1
SCHEMBL16897626 0.79 GAA (0.38) GAAICMTSMN1; SMN2ALDH1A1P2RX7
SCHEMBL1626837 0.78 GAA (0.46) GAASLC6A4SLC6A3SLC6A2CCR2
SCHEMBL15043708 0.78 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2ICMT
SCHEMBL433504 0.76 GAA (0.43) GAASLC6A4SLC6A3SLC6A2CCR2
SCHEMBL433505 0.76 GAA (0.43) GAASLC6A4SLC6A3SLC6A2CCR2
SCHEMBL757203 0.73 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2KCNN4ICMT
SCHEMBL8485004 0.73 GAA (0.53) GAASLC6A4OPRM1SMN1; SMN2ALDH1A1
SCHEMBL7961399 0.71 ALDH1A1 (0.41) GAASLC6A4SLC6A3SLC6A2CCR2

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 9 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-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 GAA 4510/4885SLC6A4 2567/4885SLC6A3 2098/4885
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 GAA 4338/4885SLC6A4 2698/4885SLC6A3 2766/4885

“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.