SCHEMBL4449244

SCHEMBL4449244

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
DGAT1 O75907 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
APLNR P35414 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CTSK P43235 2/20 0.32

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
SCHEMBL14152450 0.83 TDP1 (0.36) TDP1DGAT1CA1CA2CA7
SCHEMBL27680256 0.81 TDP1 (0.35) TDP1DGAT1CA1CA2CA7
SCHEMBL14276786 0.79 TDP1 (0.39) TDP1DGAT1CA1CA2CA7
SCHEMBL2542864 0.79 KDM4C (0.36) TDP1DGAT1CA1CA2CA7
SCHEMBL2537978 0.79 KDM4C (0.36) TDP1DGAT1CA1CA2CA7
SCHEMBL2541061 0.78 DGAT1 (0.45) TDP1DGAT1CA1CA2CA7
SCHEMBL2543922 0.78 DGAT1 (0.45) TDP1DGAT1CA1CA2CA7
SCHEMBL76832 0.77 KDM4C (0.41) TDP1DGAT1CA1CA2CA7
SCHEMBL14152176 0.76 CA1 (0.39) TDP1CA1CA2CA7MEN1
SCHEMBL31604952 0.76 TDP1 (0.40) TDP1DGAT1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2021-06-29 US disclosed
US-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION 2019-05-02 US disclosed
EP-2392561-B1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-14 EP disclosed
EP-2241564-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2010-10-20 EP disclosed
EP-1483228-B1 NK1 ANTAGONISTS SCHERING CORP (US) 2010-06-02 EP disclosed
US-7632840-B2 Quinazoline compounds for the treatment of hyperproliferative disorders ASTRAZENECA AB (SE) 2009-12-15 US disclosed
WO-2009098901-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 WO disclosed
EP-1713781-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
US-20080058391-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058391-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
WO-2008017691-A1 PYRIDINE DERIVATIVES AS SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2008-02-14 WO disclosed
US-20070293490-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2007-12-20 US 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-20080058391-A1 NOVEL COMPOUNDS HCN3, KCNN3, HCN4 TDP1 3849/4885DGAT1 3693/4885CA1 1247/4885
US-20070293490-A1 Quinazoline Derivatives CCNA1, CCND3, CCND2 TDP1 659/4885DGAT1 4832/4885CA1 4823/4885
US-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS TGFB1, TGFB2, SMAD3 TDP1 1011/4885DGAT1 3279/4885CA1 2790/4885
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors TGFB1, TGFB2, SMAD3 TDP1 1011/4885DGAT1 3279/4885CA1 2790/4885

“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.