SCHEMBL2479841

SCHEMBL2479841

COC(=O)[C@H](CC[C@H](O)CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.40
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
KLK5 Q9Y337 1/20 0.37
CTSS P25774 8/20 0.37
CTSL P07711 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CYP2D6 P10635 1/20 0.35
CTSB P07858 1/20 0.34
P2RY2 P41231 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL3617062 0.88 CTSK (0.41) CTSKGSTP1GSTM2KLK5CTSS
SCHEMBL3617063 0.88 CTSK (0.41) CTSKGSTP1GSTM2KLK5CTSS
SCHEMBL4745237 0.88 CTSK (0.41) CTSKGSTP1GSTM2KLK5CTSS
SCHEMBL17271823 0.85 CTSK (0.42) CTSKGSTP1GSTM2KLK5CTSS
SCHEMBL23177271 0.85 CTSK (0.42) CTSKGSTP1GSTM2KLK5CTSS
SCHEMBL2480209 0.81 CTSK (0.43) CTSKKLK5CTSSCTSLCYP1A2
SCHEMBL26968991 0.80 CTSK (0.41) CTSKCTSSCTSLCYP1A2CYP2C9
SCHEMBL29548094 0.80 CTSK (0.41) CTSKCTSSCTSLCYP1A2CYP2C9
SCHEMBL15746588 0.79 CTSK (0.48) CTSKKLK5CTSSCTSLCYP1A2
SCHEMBL3198135 0.79 CA1 (0.42) CTSKGSTP1GSTM2KLK5CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110250137-A1 RADIOISOTOPE-LABELED LYSINE AND ORNITHINE DERIVATIVES, THEIR USE AND PROCESSES FOR THEIR PREPARATION BAYER SCHERING PHARMA AKTIENGESELLCHAFT (DE) 2011-10-13 US disclosed
US-20110250137-A1 RADIOISOTOPE-LABELED LYSINE AND ORNITHINE DERIVATIVES, THEIR USE AND PROCESSES FOR THEIR PREPARATION BAYER SCHERING PHARMA AKTIENGESELLCHAFT (DE) 2011-10-13 US disclosed
EP-2373597-A2 RADIOISOTOPE-LABELED LYSINE AND ORNITHINE DERIVATIVES, THEIR USE AND PROCESSES FOR THEIR PREPARATION Bayer Pharma Aktiengesellschaft (DE) 2011-10-12 EP disclosed
WO-2010063403-A2 RADIOISOTOPE-LABELED LYSINE AND ORNITHINE DERIVATIVES, THEIR USE AND PROCESSES FOR THEIR PREPARATION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 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 (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-20110250137-A1 RADIOISOTOPE-LABELED LYSINE AND ORNITHINE DERIVATIVES, THEIR USE AND PROCESSES FOR THEIR PREPARATION ODC1, OTC, ARG1 CTSK 257/4885GSTP1 3155/4885GSTM2 3540/4885

“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.