SCHEMBL555941

SCHEMBL555941

CC(C)(C)OC(=O)NC1COC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
BTK Q06187 1/20 0.43
EPHX2 P34913 1/20 0.40
CTSK P43235 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
SCHEMBL9392474 1.00 GAA (0.60) GAANFKB1NFKB2RELABTK
SCHEMBL518197 1.00 GAA (0.60) GAANFKB1NFKB2RELABTK
SCHEMBL24111241 0.84 GAA (0.44) GAA
SCHEMBL14159811 0.84 GAA (0.51) GAANFKB1NFKB2RELABTK
SCHEMBL1271608 0.83 GAA (0.54) GAANFKB1NFKB2RELA
SCHEMBL4915249 0.83 GAA (0.54) GAANFKB1NFKB2RELA
SCHEMBL1036703 0.83 GAA (0.54) GAANFKB1NFKB2RELA
SCHEMBL8357051 0.82 GAA (0.50) GAANFKB1NFKB2RELABTK
SCHEMBL19824266 0.81 GAA (0.51) GAANFKB1NFKB2RELABTK
SCHEMBL9846514 0.79 GAA (0.49) GAANFKB1NFKB2RELABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023240263-A1 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-12-14 WO disclosed
WO-2023133543-A1 RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-07-13 WO disclosed
EP-3387445-B1 ISOBARIC MASS LABELS ELECTROPHORETICS LTD (GB) 2023-02-08 EP disclosed
US-10363237-B2 Compositions and methods of inhibiting N-acylethanolamine-hydrolyzing acid amidase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-30 US disclosed
US-20160256432-A1 COMPOSITIONS AND METHODS OF INHIBITING N-ACYLETHANOLAMINE-HYDROLYZING ACID AMIDASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-09-08 US disclosed
EP-2200564-B1 COMPOSITIONS AND METHODS OF INHIBITING N-ACYLETHANOLAMINE-HYDROLYZING ACID AMIDASE UNIV CALIFORNIA (US) 2016-05-04 EP disclosed
US-9321743-B2 Compositions and methods of inhibiting N-acylethanolamine-hydrolyzing acid amidase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-26 US disclosed
US-9133235-B2 Macrocyclic antagonists of the motilin receptor for treatment of gastrointestinal dysmotility disorders OCERA THERAPEUTICS, INC. (US) 2015-09-15 US disclosed
US-9133235-B2 Macrocyclic antagonists of the motilin receptor for treatment of gastrointestinal dysmotility disorders OCERA THERAPEUTICS, INC. (US) 2015-09-15 US disclosed
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-02-27 US disclosed
EP-1578735-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS Pfizer Limited (GB) 2005-09-28 EP disclosed
WO-2004087666-A1 NOVEL N-SUBSTITUTED 2-AMINOPYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-14 WO disclosed
US-20040138274-A1 Cardiovascular disorders; hypotensive agents; endopeptidase inhibitor; sexual disorders DACK KEVIN NEIL (GB) 2004-07-15 US disclosed
WO-2004056787-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 WO disclosed
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US disclosed
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 EP disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 US disclosed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 WO disclosed
WO-1994022841-A1 ALKYLAMINO SUBSTITUTED TRIAZINEDIONES, TRIAZINEMONOTHIONES AND TRIAZINEDITHIONES TOCRIS COOKSON LIMITED (GB) 1994-10-13 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 (7 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-10363237-B2 Compositions and methods of inhibiting N-acylethanolamine-hydrolyzing acid amidase NAAA, NAPEPLD, FAAH GAA 300/4885NFKB1 3780/4885NFKB2 3858/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 GAA 325/4885NFKB1 2830/4885NFKB2 3624/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 GAA 392/4885NFKB1 2043/4885NFKB2 2756/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 GAA 325/4885NFKB1 2830/4885NFKB2 3624/4885
US-20160256432-A1 COMPOSITIONS AND METHODS OF INHIBITING N-ACYLETHANOLAMINE-HYDROLYZING ACID AMIDASE NAAA, NAPEPLD, FAAH GAA 300/4885NFKB1 3780/4885NFKB2 3858/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 GAA 408/4885NFKB1 2684/4885NFKB2 3563/4885
US-20040138274-A1 Cardiovascular disorders; hypotensive agents; endopeptidase inhibitor; sexual disorders MME, ECE1, ECE2 GAA 306/4885NFKB1 4693/4885NFKB2 4687/4885

“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.