SCHEMBL600677

SCHEMBL600677

COC(=O)C(C)(C=O)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.45
CTSK P43235 3/20 0.36
CA12 O43570 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA2 P00918 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PTPRB P23467 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 2/20 0.33
MAPT P10636 1/20 0.32
MIF P14174 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL10271620 1.00 DGAT1 (0.45) DGAT1CTSKCA12CA14CA2
SCHEMBL186200 0.90 DGAT1 (0.42) DGAT1CTSKCA12CA14CA2
SCHEMBL28824277 0.82 CTSK (0.37) DGAT1CTSKCA2KDM4ETDP1
SCHEMBL28824278 0.82 CTSK (0.37) DGAT1CTSKCA2KDM4ETDP1
SCHEMBL1374814 0.79 DGAT1 (0.52) DGAT1CA12CA14CA2KDM4E
SCHEMBL293062 0.75 CTSK (0.40) DGAT1CTSKCA12CA14CA2
SCHEMBL7395134 0.74 DGAT1 (0.42) DGAT1CTSKCA12CA14CA2
SCHEMBL12360947 0.74 DGAT1 (0.42) DGAT1CTSKCA12CA14CA2
SCHEMBL10187040 0.74 MEN1 (0.33) KDM4ETDP1MAPTMEN1KMT2A
SCHEMBL29958680 0.74 DGAT1 (0.50) DGAT1CA12CA14CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317417-A2 2-AMINO-2-ALKYL-3 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP claimed
US-20020072630-A1 2-amino-2-alkyl-3 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2002-06-13 US claimed
WO-2002022558-A2 2-AMINO-2-ALKYL-3 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO claimed
WO-2020138499-A1 ALKYL-SUBSTITUTED COMPOUND 大日本住友製薬株式会社 2020-07-02 WO disclosed
CN-101484171-B Amino acid surrogates for peptidic constructs PALATIN TECHNOLOGIES INC 2015-05-06 CN disclosed
US-8580746-B2 Amide linkage cyclic natriuretic peptide constructs PALATIN TECHNOLOGIES, INC. (US) 2013-11-12 US disclosed
US-8580747-B2 Cyclic natriuretic peptide constructs PALATIN TECHNOLOGIES, INC. (US) 2013-11-12 US disclosed
EP-2001518-B1 CYCLIC NATRIURETIC PEPTIDE CONSTRUCTS PALATIN TECHNOLOGIES INC (US) 2013-07-10 EP disclosed
EP-1791821-B1 NOVEL IMIDAZOLIDIN-2-ONE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2013-06-05 EP disclosed
US-8114844-B2 Linear and cyclic melanocortin receptor-specific peptidomimetics PALATIN TECHNOLOGIES, INC. (US) 2012-02-14 US disclosed
US-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates PALATIN TECHNOLOGIES, INC. (US) 2011-10-27 US disclosed
US-20060063819-A1 Novel imidazolidin-2-one derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 US disclosed
WO-2006031715-A2 NOVEL IMIDAZOLIDIN-2-ONE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 WO disclosed
US-6828456-B2 Therapy PHARMACIA CORPORATION 2004-12-07 US disclosed
EP-1317417-A2 2-AMINO-2-ALKYL-3 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP disclosed
EP-1317420-A1 2-AMINO-2-ALKYL-3 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP disclosed
US-20020072630-A1 2-amino-2-alkyl-3 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2002-06-13 US disclosed
US-20020072631-A1 2-amino-2-alkyl-3 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors PHARMACIA CORLPORATION 2002-06-13 US disclosed
WO-2002022558-A2 2-AMINO-2-ALKYL-3 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO disclosed
WO-2002022561-A1 2-AMINO-2-ALKYL-3 HEXENOIC AND HEXYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 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 (4 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-20060063819-A1 Novel imidazolidin-2-one derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 DGAT1 3970/4885CTSK 4252/4885CA12 4686/4885
US-20110263818-A1 Peptidic Constructs with Amino Acid Surrogates ARGLU1, QRFPR, ARG1 DGAT1 4730/4885CTSK 1454/4885CA12 2592/4885
US-20020072631-A1 2-amino-2-alkyl-3 hexenoic and hexynoic acid derivatives useful as nitric oxide synthase inhibitors NOS3, ALOX12, ALOX5 DGAT1 710/4885CTSK 3697/4885CA12 3190/4885
US-20020072630-A1 2-amino-2-alkyl-3 heptenoic and heptynoic acid derivatives useful as nitric oxide synthase inhibitors PTGIS, NOS3, ALOX12 DGAT1 710/4885CTSK 3790/4885CA12 2457/4885

“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.