SCHEMBL8777100

SCHEMBL8777100

CC(=O)NC(CC(C)C)C(C)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
PTGS2 P35354 1/20 0.45
THPO P40225 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FOLH1 Q04609 2/20 0.40
KISS1R Q969F8 4/20 0.38
LAP3 P28838 3/20 0.38
MMP1 P03956 1/20 0.36
CPA1 P15085 1/20 0.36
CPB1 P15086 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
SCHEMBL15354479 1.00 ALDH1A1 (0.72) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL13822102 1.00 ALDH1A1 (0.72) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL7669784 0.86 ALDH1A1 (0.67) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL7669779 0.86 ALDH1A1 (0.67) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL15810880 0.86 ALDH1A1 (0.67) ALDH1A1MEN1LMNAKMT2AMAPT
Acetylleucine SCHEMBL282371 0.84 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT
Levacetylleucine SCHEMBL714003 0.84 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT
Levacetylleucine SCHEMBL282372 0.84 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT
Levacetylleucine SCHEMBL9438432 0.84 ALDH1A1 (1.00) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL12537181 0.82 ALDH1A1 (0.67) ALDH1A1MEN1LMNAKMT2AMAPT

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399317-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2023-12-14 US disclosed
WO-2019021303-A1 A NOVEL PROCESS FOR THE PREPARATION OF APREMILAST IN AMORPHOUS FORM ALKEM LABORATORIES LIMITED (IN) 2019-01-31 WO disclosed
US-20170037086-A1 PEPTIDOMIMETIC MACROCYCLES WITH PTH ACTIVITY AILERON THERAPEUTICS, INC. 2017-02-09 US disclosed
US-9468625-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2016-10-18 US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. 2016-03-24 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-20160030441-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF ARISAPH PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9212142-B2 Niacin mimetics, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-12-15 US disclosed
US-9139519-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2015-09-22 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
WO-2008106139-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
EP-0611374-B1 17-BETA-SUBSTITUTED 4-AZA-5-ALPHA-ANDROSTAN-3-ONE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 1997-10-22 EP disclosed
US-5418238-A 17β-substituted 4-aza-5α-androstan-3-one derivatives FARMITALIA CARLO ERBA S.R.L. (IT) 1995-05-23 US disclosed
EP-0611374-A1 17-g(b)-SUBSTITUTED 4-AZA-5-g(a)-ANDROSTAN-3-ONE DERIVATIVES. ERBA FARMITALIA (IT) 1994-08-24 EP disclosed
WO-1994003476-A1 17β-SUBSTITUTED 4-AZA-5α-ANDROSTAN-3-ONE DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1994-02-17 WO 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 (8 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-20230399317-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS MPO, MUC1, CRYAB ALDH1A1 489/4885MEN1 2560/4885LMNA 1643/4885
US-20160030441-A1 NIACIN MIMETICS, AND METHODS OF USE THEREOF NAMPT, NNT, NAPRT ALDH1A1 564/4885MEN1 1859/4885LMNA 1470/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 ALDH1A1 1374/4885MEN1 2930/4885LMNA 2814/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ALDH1A1 1374/4885MEN1 2930/4885LMNA 2814/4885
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, XPOT, NPM1 ALDH1A1 2447/4885MEN1 218/4885LMNA 4550/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 ALDH1A1 2219/4885MEN1 4026/4885LMNA 1534/4885
US-20170037086-A1 PEPTIDOMIMETIC MACROCYCLES WITH PTH ACTIVITY PTH1R, CALCA, CALCB ALDH1A1 4856/4885MEN1 65/4885LMNA 3274/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ALDH1A1 1505/4885MEN1 3500/4885LMNA 1009/4885

“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.