SCHEMBL430654

SCHEMBL430654

CC(C)(C)N=NC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL14803915 1.00 DGAT1 (0.34) DGAT1CA1CA2CA7ALDH1A1
SCHEMBL17703335 1.00 DGAT1 (0.34) DGAT1CA1CA2CA7ALDH1A1
SCHEMBL77788 0.84 DGAT1 (0.40) DGAT1CA1CA2CA7ALDH1A1
SCHEMBL796349 0.84 DGAT1 (0.40) DGAT1CA1CA2CA7ALDH1A1
SCHEMBL77789 0.84 DGAT1 (0.40) DGAT1CA1CA2CA7ALDH1A1
SCHEMBL2623071 0.77 DGAT1 (0.36) DGAT1ALDH1A1HPGD
SCHEMBL11486559 0.77 ALDH1A1 (0.32) DGAT1ALDH1A1
SCHEMBL15866436 0.77 DGAT1 (0.36) DGAT1ALDH1A1HPGD
SCHEMBL11486560 0.77 ALDH1A1 (0.32) DGAT1ALDH1A1
SCHEMBL14108100 0.76 DGAT1 (0.32) DGAT1ALDH1A1HPGD

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
US-9187450-B2 Substituted pyridine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-17 US disclosed
EP-2592076-B1 SUBSTITUTED PYRIDINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-05-13 EP disclosed
US-20140213549-A9 Substituted Pyridine Compound UBE INDUSTRIES, LTD. (JP) 2014-07-31 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-20140005143-A2 Substituted PyridineCompound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-02 US disclosed
EP-2592076-A1 SUBSTITUTED PYRIDINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-15 EP disclosed
US-20130109653-A1 Substituted Pyridine Compound UBE INDUSTRIES, LTD. (JP) 2013-05-02 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed
US-7691968-B2 Process for the synthesis of peptides amides by side-chain attachment to a solid phase AVECIA BIOLOGICS LIMITED (GB) 2010-04-06 US disclosed
EP-1504022-B1 PROCESS FOR THE SYNTHESIS OF PEPTIDE AMIDES BY SIDE-CHAIN ATTACHMENT TO A SOLID PHASE AVECIA LTD (GB) 2006-10-11 EP disclosed
US-20050266520-A1 Process for the synthesis of peptides FUJIFILM DIOSYNTH BIOTECHNOLOGIES UK LIMITED (GB) 2005-12-01 US disclosed
EP-1504022-A2 PROCESS FOR THE SYNTHESIS OF PEPTIDE AMIDES BY SIDE-CHAIN ATTACHMENT TO A SOLID PHASE Avecia Limited (GB) 2005-02-09 EP disclosed
WO-2003093302-A2 PROCESS FOR THE SYNTHESIS OF PEPTIDES AMIDES BY SIDE-CHAIN ATTACHEMENT TO A SOLID PHASE AVECIA LIMITED (GB) 2003-11-13 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 (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-20140213549-A9 Substituted Pyridine Compound CETP, MTTP, PRCP DGAT1 2295/4885CA1 2349/4885CA2 607/4885
US-20140005143-A2 Substituted PyridineCompound CETP, MTTP, CES1 DGAT1 1356/4885CA1 3256/4885CA2 787/4885
US-20130109653-A1 Substituted Pyridine Compound CETP, MTTP, PRCP DGAT1 2295/4885CA1 2349/4885CA2 607/4885
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K DGAT1 1143/4885CA1 4740/4885CA2 4370/4885

“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.