SCHEMBL2922871

SCHEMBL2922871

COC(=O)CC(=O)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
HPGD P15428 1/20 0.57
TSHR P16473 2/20 0.55
MCL1 Q07820 1/20 0.54
EPHX2 P34913 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL31023546 0.90 ALDH1A1 (0.64) NPC1GAAKMT2AMEN1EPHX2
SCHEMBL2087667 0.84 PPID (0.68) GAAKMT2AMEN1HPGDEPHX2
SCHEMBL3087061 0.84 GAA (0.73) GAAKMT2AMEN1HPGDMCL1
SCHEMBL28872153 0.83 GAA (0.53) NPC1GAAKMT2AMEN1HPGD
SCHEMBL15334931 0.82 MEN1 (0.59) NPC1GAAKMT2AMEN1HPGD
SCHEMBL28554545 0.82 GAA (0.57) GAATSHRCYP3A4CYP2C19SMN1; SMN2
SCHEMBL26097558 0.82 LMNA (0.62) GAAKMT2AMEN1HPGDTSHR
SCHEMBL4535892 0.82 MEN1 (0.59) GAAKMT2AMEN1HPGDL3MBTL1
SCHEMBL2797868 0.82 NPC1 (0.65) NPC1GAAKMT2AMEN1HPGD
SCHEMBL1232792 0.82 MEN1 (0.78) GAAKMT2AMEN1TSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362535-A1 5H-FURAN-2-ONE DERIVATIVES STABILIZATION OF ORGANIC MATERIAL BASF SCHWEIZ AG (CH) 2016-12-15 US disclosed
US-20160362535-A1 5H-FURAN-2-ONE DERIVATIVES STABILIZATION OF ORGANIC MATERIAL BASF SCHWEIZ AG (CH) 2016-12-15 US disclosed
US-9458380-B2 5H-furan-2-one derivatives for stabilization of organic material BASF SE (DE) 2016-10-04 US disclosed
US-9458380-B2 5H-furan-2-one derivatives for stabilization of organic material BASF SE (DE) 2016-10-04 US disclosed
EP-2705082-B1 5H-FURAN-2-ONE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIAL BASF SE (DE) 2015-09-23 EP disclosed
US-20140058021-A1 5H-Furan-2-one Derivatives for Stabilization of Organic Material BASF SE (DE) 2014-02-27 US disclosed
US-20140058021-A1 5H-Furan-2-one Derivatives for Stabilization of Organic Material BASF SE (DE) 2014-02-27 US disclosed
EP-1635839-B1 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-01 EP disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 US disclosed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 US disclosed
US-4419363-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-06 US disclosed
US-4346111-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-08-24 US disclosed
US-4318921-A HYPOTENSIVE AGENTS; ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-03-09 US disclosed
US-4211878-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-08 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 (3 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-20050176742-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 NPC1 618/4885GAA 519/4885KMT2A 2945/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 NPC1 618/4885GAA 519/4885KMT2A 2945/4885
US-20160362535-A1 5H-FURAN-2-ONE DERIVATIVES STABILIZATION OF ORGANIC MATERIAL C5, C9, CBR1 NPC1 1612/4885GAA 4653/4885KMT2A 3534/4885

“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.