SCHEMBL3977407

SCHEMBL3977407

CC(C)(C)OC(=O)C#CCN

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.34
DGAT1 O75907 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
SCHEMBL27014757 0.80 CTSK (0.35) CTSKDGAT1
SCHEMBL1088806 0.80 CTSK (0.35) CTSKDGAT1
SCHEMBL9746433 0.78 CTSK (0.34) CTSKDGAT1
SCHEMBL1414348 0.78 DGAT1 (0.40) CTSKDGAT1
SCHEMBL1089166 0.77 SPHK1 (0.35) CTSKDGAT1
SCHEMBL9604817 0.75 CTSK (0.33) CTSK
SCHEMBL27546342 0.75 CTSK (0.33) CTSK
SCHEMBL19912070 0.75 DGAT1 (0.34) CTSKDGAT1
SCHEMBL16885807 0.74 DGAT1 (0.37) CTSKDGAT1
SCHEMBL1088319 0.74 SPHK1 (0.42) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20070293472-A1 Novel 14 and 15 Membered Ring Compounds GLAXO GROUP LIMITED (GB) 2007-12-20 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1628989-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-12-20 EP disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 US disclosed
US-20020177695-A1 Nucleic acid probes and methods DUKE UNIVERSITY 2002-11-28 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A CTSK 691/4885DGAT1 2213/4885
US-20070293472-A1 Novel 14 and 15 Membered Ring Compounds IL17A, CYP51A1, IL15 CTSK 546/4885DGAT1 1645/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 CTSK 3191/4885DGAT1 75/4885
US-20020177695-A1 Nucleic acid probes and methods NUDT1, NT5C3B, NT5C2 CTSK 2726/4885DGAT1 2666/4885

“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.