SCHEMBL13030795

SCHEMBL13030795

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
CALCRL Q16602 1/20 0.35
ITGB3 P05106 8/20 0.35
ITGA2B P08514 8/20 0.35
HPGD P15428 1/20 0.35
CYP2D6 P10635 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
P2RY12 Q9H244 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL23893541 0.90 P2RY12 (0.36) CTSKCALCRLITGB3ITGA2BHPGD
SCHEMBL14580885 0.90 CTSK (0.38) CTSKCALCRLITGB3ITGA2BHPGD
SCHEMBL7298353 0.86 CYP2D6 (0.46) CTSKCALCRLITGB3ITGA2BCYP2D6
SCHEMBL23879097 0.83 HPGD (0.38) CTSKITGB3ITGA2BHPGDCYP2D6
SCHEMBL24822362 0.83 HPGD (0.38) CTSKITGB3ITGA2BHPGDCYP2D6
SCHEMBL26013230 0.82 HPGD (0.38) CTSKITGB3ITGA2BHPGDCYP2D6
SCHEMBL26010069 0.79 CTSK (0.41) CTSKCALCRLITGB3ITGA2BCYP2D6
SCHEMBL12989824 0.79 CCKBR (0.41) P2RY12
SCHEMBL12989653 0.79 CCKBR (0.41) P2RY12
SCHEMBL25186364 0.76 ITGB3 (0.54) CTSKCALCRLITGB3ITGA2BCTSL

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CTSK 1970/4885CALCRL 3162/4885ITGB3 734/4885

“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.