SCHEMBL1748476

SCHEMBL1748476

CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
PGR P06401 1/20 0.42
PTGS1 P23219 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NQO2 P16083 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL6375660 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EGAAMEN1
SCHEMBL3004207 1.00 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EGAAMEN1
SCHEMBL6139046 0.88 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EGAAMEN1
SCHEMBL7284372 0.86 GAA (0.47) ALDH1A1HSD17B10KDM4EGAAMEN1
SCHEMBL28546281 0.85 KDM4E (0.45) ALDH1A1HSD17B10KDM4EMEN1NPC1
SCHEMBL1471745 0.85 KDM4E (0.45) ALDH1A1HSD17B10KDM4EMEN1NPC1
SCHEMBL27702983 0.85 KDM4E (0.45) ALDH1A1HSD17B10KDM4EMEN1NPC1
SCHEMBL7453154 0.83 MEN1 (0.47) ALDH1A1HSD17B10KDM4EMEN1NPC1
SCHEMBL2489047 0.83 MEN1 (0.47) ALDH1A1HSD17B10KDM4EMEN1NPC1
SCHEMBL3008670 0.81 AKT1 (0.44) GAAMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968548-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders including specifically treatment of obesity and related conditions PALATIN TECHNOLOGIES, INC. (US) 2011-06-28 US disclosed
CN-101930991-A Active driving organic electroluminescence device and preparation method thereof UNIV ELECTRONIC SCIENCE & TECH 2010-12-29 CN disclosed
US-7834017-B2 Diamine-containing, tetra-substituted piperazine compounds having identical 1- and 4-substituents PALATIN TECHNOLOGIES, INC. (US) 2010-11-16 US disclosed
US-7727990-B2 Melanocortin receptor-specific piperazine and keto-piperazine compounds PALATIN TECHNOLOGIES, INC. (US) 2010-06-01 US disclosed
US-7727991-B2 Substituted melanocortin receptor-specific single acyl piperazine compounds PALATIN TECHNOLOGIES, INC. (US) 2010-06-01 US disclosed
US-7405209-B2 e.g. 2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-3-oxo-azepan-4-ylcarbamoyl}carbamic acid benzyl ester; protease inhibitors like cathepsin K; osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION (US) 2008-07-29 US disclosed
EP-1922072-A2 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS Palatin Technologies, Inc. (US) 2008-05-21 EP disclosed
EP-1919479-A2 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE AND KETO-PIPERAZINE COMPOUNDS Palatin Technologies, Inc. (US) 2008-05-14 EP disclosed
US-20080070921-A1 Diamine-Containing, Tetra-Substituted Piperazine Compounds Having Identical 1- and 4-Substituents PALATIN TECHNOLOGIES, INC. (US) 2008-03-20 US disclosed
WO-2008017852-A1 DIAMINE-CONTAINING, TETRA- SUBSTITUTED PIPERAZINE COMPOUNDS AS MELANOCORTIN RECEPTOR MODULATORS PALATIN TECHNOLOGIES, INC. (US) 2008-02-14 WO disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed
EP-1001764-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-24 EP disclosed
WO-1999064395-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-12-16 WO disclosed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 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 (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-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP ALDH1A1 1483/4885HSD17B10 1403/4885KDM4E 956/4885
US-20080070921-A1 Diamine-Containing, Tetra-Substituted Piperazine Compounds Having Identical 1- and 4-Substituents NPY1R, MC5R, MC4R ALDH1A1 3437/4885HSD17B10 3194/4885KDM4E 146/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885HSD17B10 3057/4885KDM4E 917/4885

“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.