SCHEMBL468763

SCHEMBL468763

CCOC(=O)CC[C@H](NC(C)=O)C(=O)OCC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.75
KMT2A Q03164 3/20 0.71
POLB P06746 1/20 0.71
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
CAD P27708 1/20 0.40
NOD1 Q9Y239 2/20 0.39
CCKBR P32239 1/20 0.37
TRPA1 O75762 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
SCHEMBL468762 1.00 L3MBTL1 (0.75) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL12357113 0.90 L3MBTL1 (0.62) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL21274418 0.88 L3MBTL1 (0.58) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL11124589 0.88 L3MBTL1 (0.58) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL21274419 0.88 L3MBTL1 (0.58) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL7599579 0.87 L3MBTL1 (0.77) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL11124586 0.86 L3MBTL1 (0.56) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL15730803 0.86 L3MBTL1 (1.00) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL468757 0.84 L3MBTL1 (0.54) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL4189297 0.84 L3MBTL1 (0.84) L3MBTL1KMT2APOLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44017-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use YU RUEY J (US) 2013-02-19 US claimed
US-RE42902-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2011-11-08 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
US-20210238124-A1 ACETYLATED PRODRUGS FOR DELIVERY ACROSS THE BLOOD-BRAIN BARRIER THE GENERAL HOSPITAL CORPORATION (US) 2021-08-05 US disclosed
US-7453010-B2 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI AVENTIS (FR) 2008-11-18 US disclosed
US-7453010-B2 Phenylcyclohexylpropanolamine derivatives, preparation and therapeutic application thereof SANOFI AVENTIS (FR) 2008-11-18 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 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-20210238124-A1 ACETYLATED PRODRUGS FOR DELIVERY ACROSS THE BLOOD-BRAIN BARRIER AADAC, ACAT2, AANAT L3MBTL1 2249/4885KMT2A 698/4885POLB 3332/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 L3MBTL1 2366/4885KMT2A 1449/4885POLB 1939/4885

“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.