SCHEMBL191548

SCHEMBL191548

CC(C)(C)OC(=O)N(CC(=O)O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
NOX1 Q9Y5S8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KEAP1 Q14145 1/20 0.48
ALOX5 P09917 3/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
PTGES O14684 1/20 0.46
TSPO P30536 1/20 0.46
EGFR P00533 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2574961 0.90 ALDH1A1 (0.61) MAOBNOX1ALDH1A1ALOX5NR4A1
SCHEMBL192404 0.90 ALDH1A1 (0.49) MAOBNOX1ALDH1A1ALOX5NR4A1
SCHEMBL17890894 0.89 NOX1 (0.54) MAOBNOX1ALDH1A1ALOX5NR4A1
SCHEMBL2292934 0.84 SMN1; SMN2 (0.45) FFAR1
SCHEMBL219603 0.84 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL193278 0.84 SMN1; SMN2 (0.43) NOX1ALDH1A1ALOX5PTGS1PTGS2
SCHEMBL1350475 0.83 MAOB (0.43) MAOB
SCHEMBL3104540 0.82 NOX1 (0.50) MAOBNOX1ALDH1A1ALOX5NR4A1
SCHEMBL11649618 0.82 PTPN1 (0.42) MEN1MAPTKMT2A
SCHEMBL3813554 0.82 NR1H2 (0.41) ALDH1A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877366-B1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2012-01-04 EP disclosed
EP-1893634-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-21 EP disclosed
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
EP-1362855-B1 BETA-LACTAM COMPOUNDS, PROCESS FOR REPODUCING THE SAME AND SERUM CHOLESTEROL-LOWERING AGENTS CONTAINING THE SAME KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2007-10-03 EP disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 WO disclosed
US-7045515-B2 β-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2006-05-16 US disclosed
US-20040063929-A1 Beta-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1362855-A1 BETA-LACTAM COMPOUNDS, PROCESS FOR REPODUCING THE SAME AND SERUM CHOLESTEROL-LOWERING AGENTS CONTAINING THE SAME Kotobuki Pharmaceutical Co., Ltd. (JP) 2003-11-19 EP 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-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 MAOB 375/4885NOX1 132/4885ALDH1A1 348/4885
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 MAOB 1830/4885NOX1 1787/4885ALDH1A1 1522/4885
US-20040063929-A1 Beta-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same HMGCR, NCEH1, CETP MAOB 2760/4885NOX1 1059/4885ALDH1A1 859/4885

“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.