SCHEMBL5841408

SCHEMBL5841408

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 3/20 0.35
CA14 Q9ULX7 3/20 0.35
APLNR P35414 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4854621 0.83 TDP1 (0.39) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL23863605 0.82 TDP1 (0.36) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL2933102 0.82 CA1 (0.39) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL101218 0.82 DGAT1 (0.46) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL12583704 0.81 TDP1 (0.38) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL3951511 0.80 APLNR (0.41) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL3755352 0.80 DGAT1 (0.41) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL6272856 0.79 DGAT1 (0.44) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL1522412 0.79 DGAT1 (0.44) TDP1DGAT1NFKB1NFKB2RELA
Potassium SCHEMBL29554503 0.79 DGAT1 (0.44) TDP1DGAT1NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668867-B1 SYNTHESIS, PHARMACOLOGY AND USE OF NEW AND SELECTIVE FMS-LIKE TYROSINE KINASE 3 (FLT3) FLT3 INHIBITORS UNIV REGENSBURG (DE) 2023-10-04 EP disclosed
WO-2017015496-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2017-01-26 WO disclosed
WO-2014035872-A1 TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2014-03-06 WO disclosed
US-20120189601-A1 ASSISTED ENZYME REPLACEMENT THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-26 US disclosed
US-7141567-B2 Polysubstituted imidazopyridines as gastric secretion inhibitors ALTANA PHARMA AG (DE) 2006-11-28 US disclosed
US-20060035892-A1 Nitrosated imidazopyridines ATLANTA PHARMA AG (DE) 2006-02-16 US disclosed
US-6869949-B2 Polysubstituted imidazopyridines as gastric secretion inhibitors ALTANA PHARMA AG (DE) 2005-03-22 US disclosed
EP-1504003-A1 NITROSATED IMIDAZOPYRIDINES ALTANA Pharma AG (DE) 2005-02-09 EP disclosed
US-20040214852-A1 Polysubstituted imidazopyridines ALTANA PHARMA AG (DE) 2004-10-28 US disclosed
US-20040106642-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2004-06-03 US disclosed
WO-2003091253-A1 NITROSATED IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2003-11-06 WO disclosed
EP-1332143-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA Pharma AG (DE) 2003-08-06 EP disclosed
US-6384048-B1 GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-07 US disclosed
WO-2002034749-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2002-05-02 WO disclosed
EP-1127059-A1 IMIDAZONAPHTHYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-08-29 EP disclosed
WO-2000026217-A1 IMIDAZONAPHTHYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-05-11 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-20040106642-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS GIPR, SLC10A2, VIP TDP1 4704/4885DGAT1 2714/4885NFKB1 2393/4885
US-20060035892-A1 Nitrosated imidazopyridines NOS2, NOS1, NOS3 TDP1 2939/4885DGAT1 3688/4885NFKB1 349/4885
US-20120189601-A1 ASSISTED ENZYME REPLACEMENT THERAPY GAA, GLA, ENPEP TDP1 1191/4885DGAT1 438/4885NFKB1 4578/4885
US-20040214852-A1 Polysubstituted imidazopyridines GIPR, VIP, SLC10A2 TDP1 4530/4885DGAT1 3456/4885NFKB1 2077/4885

“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.