SCHEMBL1949166

SCHEMBL1949166

O=C(ON(Cl)C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
GSK3B P49841 2/20 0.39
SRD5A2 P31213 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.39
RBBP9 O75884 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL11279529 0.82 CES2 (0.46) CES2CES1L3MBTL1NPC1RAB9A
SCHEMBL1950214 0.82 LMNA (0.50) CES2CES1SMN1; SMN2TSHRALDH1A1
SCHEMBL13479813 0.74 CES2 (0.50) CES2CES1L3MBTL1NPC1RAB9A
SCHEMBL12546534 0.73 CES1 (0.55) CES2CES1NPC1RAB9AALDH1A1
SCHEMBL22619 0.72 CES2 (0.59) CES2CES1L3MBTL1NPC1RAB9A
SCHEMBL247590 0.72 CES2 (0.59) CES2CES1L3MBTL1NPC1RAB9A
SCHEMBL28775846 0.72 CES2 (0.59) CES2CES1L3MBTL1NPC1RAB9A
SCHEMBL22115811 0.72 CES2 (0.59) CES2CES1L3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL11480882 0.70 GAA (0.47) CES2CES1L3MBTL1NPC1RAB9A
SCHEMBL2228425 0.70 CES2 (0.56) CES2CES1L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018411-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-04-28 US claimed
US-9458127-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-9458127-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-9458127-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2015-07-16 US disclosed
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2015-07-16 US disclosed
US-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2015-07-16 US disclosed
US-9018411-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-04-28 US disclosed
US-9018411-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-04-28 US disclosed
US-9018411-B2 Bis-acylated hydroxylamine derivatives CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-04-28 US disclosed
WO-2011071947-A2 BIS-ACYLATED HYDROXYLAMINE DERIVATIVES JOHNS HOPKINS UNIVERSITY (US) 2011-06-16 WO disclosed
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 US disclosed
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 US disclosed
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives THE JOHNS HOPKINS UNIVERSITY 2011-06-09 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 (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-20150197502-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 CES2 758/4885CES1 526/4885L3MBTL1 844/4885
US-20110136827-A1 Bis-Acylated Hydroxylamine Derivatives CPT1A, TNNI3, NOS2 CES2 758/4885CES1 526/4885L3MBTL1 844/4885

“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.