SCHEMBL3554426

SCHEMBL3554426

N=C(NO)c1ccc(N2CCS(=O)(=O)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.48
ADRA1A P35348 2/20 0.45
WNT3A P56704 3/20 0.43
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK8 P45983 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CRBN Q96SW2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15891156 0.84 UBE2T (0.67) UBE2TALDH1A1RAB9ANPC1KMT2A
SCHEMBL4402275 0.80 ALDH1A1 (0.59) UBE2TALDH1A1KMT2AKDM4EPOLB
SCHEMBL1938168 0.80 KDM4E (0.59) UBE2TADRA1AWNT3AALDH1A1RAB9A
SCHEMBL4399646 0.78 ALDH1A1 (0.50) UBE2TALDH1A1RAB9ANPC1KMT2A
SCHEMBL5013526 0.78 UBE2T (0.51) UBE2TADRA1AWNT3AALDH1A1KDM4E
SCHEMBL3099987 0.78 RAB9A (0.66) ADRA1AWNT3AALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL5010547 0.77 UBE2T (0.50) UBE2TADRA1AWNT3AALDH1A1KDM4E
SCHEMBL1742930 0.77 HRH3 (0.49) UBE2T
SCHEMBL15205930 0.74 AKR1C3 (0.51) ADRA1AWNT3AALDH1A1KDM4E
SCHEMBL31370545 0.74 AKR1C3 (0.51) ADRA1AWNT3AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 UBE2T 1517/4885ADRA1A 169/4885WNT3A 2404/4885

“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.