SCHEMBL7298353

SCHEMBL7298353

CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
ITGB3 P05106 10/20 0.45
ITGA2B P08514 10/20 0.45
CALCRL Q16602 1/20 0.44
CTSK P43235 5/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
TSHR P16473 1/20 0.42
CTSS P25774 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8717338 0.89 ITGB3 (0.54) ITGB3ITGA2BCALCRLCTSKCTSL
SCHEMBL25186364 0.89 ITGB3 (0.54) ITGB3ITGA2BCALCRLCTSKCTSL
SCHEMBL2896794 0.87 ITGB3 (0.53) ITGB3ITGA2BCALCRLCTSKCTSL
SCHEMBL25183128 0.87 ITGB3 (0.53) ITGB3ITGA2BCALCRLCTSKCTSL
SCHEMBL14580885 0.86 CTSK (0.38) CYP2D6ITGB3ITGA2BCALCRLCTSK
SCHEMBL13030795 0.86 CTSK (0.35) CYP2D6ITGB3ITGA2BCALCRLCTSK
SCHEMBL23879097 0.86 HPGD (0.38) CYP2D6ITGB3ITGA2BCTSKCTSL
SCHEMBL24822362 0.86 HPGD (0.38) CYP2D6ITGB3ITGA2BCTSKCTSL
SCHEMBL4933439 0.86 CTSK (0.52) ITGB3ITGA2BCTSKCTSLCTSB
SCHEMBL26013230 0.84 HPGD (0.38) CYP2D6ITGB3ITGA2BCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501498-B2 Mass tags for quantitative analyses DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2013-08-06 US disclosed
US-20100311175-A1 MASS TAGS FOR QUANTITATIVE ANALYSES Life Technologies Corporation (US) 2010-12-09 US disclosed
US-20070048752-A1 Mass tags for quantitative analyses APPLERA CORPORATION (US) 2007-03-01 US disclosed
EP-0559046-B1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
EP-0559046-A1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-09-08 EP 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 (2 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-20100311175-A1 MASS TAGS FOR QUANTITATIVE ANALYSES SRMS, PTMS, TMT1A CYP2D6 1742/4885ITGB3 734/4885ITGA2B 1220/4885
US-20070048752-A1 Mass tags for quantitative analyses SRMS, PTMS, TMT1A CYP2D6 1742/4885ITGB3 734/4885ITGA2B 1220/4885

“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.