SCHEMBL3552882

SCHEMBL3552882

CNS(=O)(=O)c1ccc(C(=N)NO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA12 O43570 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA13 Q8N1Q1 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NR3C2 P08235 1/20 0.42
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41

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
SCHEMBL4095461 0.81 ENPP2 (0.48)
SCHEMBL14972942 0.80 LMNA (0.50) CA1CA2LMNAALDH1A1L3MBTL1
SCHEMBL14448891 0.79 TMPRSS6 (0.60) SMN1; SMN2GAACA1CA2CA12
SCHEMBL312685 0.77 CA2 (0.60) CA1CA2CA12CA3CA4
SCHEMBL8773897 0.77 SMN1; SMN2 (0.55) SMN1; SMN2GAACA1CA2CA12
SCHEMBL7629070 0.77 SMN1; SMN2 (0.80) SMN1; SMN2GAACA1CA2CA12
SCHEMBL4394070 0.76 MAPT (0.48) SMN1; SMN2GAALMNAHTTALDH1A1
SCHEMBL2064602 0.76 ALDH1A1 (0.55) GAACA1CA2CA12CA9
SCHEMBL14645482 0.76 TMPRSS6 (0.69) SMN1; SMN2GAACA1CA2CA12
SCHEMBL14973311 0.75 TSHR (0.60) SMN1; SMN2CA2CA12CA9ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3529246-B1 OXADIAZOLES HAVING FUNGICIDAL ACTIVITY FMC CORP (US) 2023-10-18 EP disclosed
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
EP-1959951-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
WO-2007063012-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 US 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-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 SMN1; SMN2 4080/4885GAA 1311/4885CA1 4222/4885

“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.