SCHEMBL2794568

SCHEMBL2794568

[2H]C([2H])(C(=O)O)[C@@]([2H])(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.43
CTSL P07711 6/20 0.43
CTSB P07858 5/20 0.43
ATM Q13315 1/20 0.42
SYK P43405 1/20 0.41
CTSK P43235 7/20 0.41
CTRB1 P17538 2/20 0.40
CASP1 P29466 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
KYNU Q16719 1/20 0.39

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
SCHEMBL263479 0.92 CTSL (0.41) CTSSCTSLCTSBATMSYK
SCHEMBL262927 0.88 SYK (0.47) CTSSCTSLCTSBATMSYK
SCHEMBL2793720 0.84 CTSS (0.41) CTSSCTSLCTSBATMSYK
SCHEMBL5724195 0.83 SYK (0.52) CTSSCTSLCTSBATMSYK
SCHEMBL264163 0.83 CTSL (0.40) CTSSCTSLCTSBATMSYK
SCHEMBL23455702 0.82 PPARA (0.51) CTSSCTSLCTSBATMSYK
SCHEMBL5724014 0.82 ATM (0.50) CTSSCTSLCTSBATMSYK
SCHEMBL10045788 0.82 PPARA (0.51) CTSSCTSLCTSBATMSYK
SCHEMBL261847 0.82 SYK (0.48) CTSSCTSLCTSBATMSYK
SCHEMBL15924777 0.81 KYNU (0.53) CTSSCTSLCTSBATMSYK

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-20100168131-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-07-01 US disclosed
WO-2010063662-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0] HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 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-20100168131-A1 NOVEL COMPOUNDS HTR3B, HNMT, TPMT CTSS 1047/4885CTSL 1788/4885CTSB 1263/4885

“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.