SCHEMBL3684502

SCHEMBL3684502

COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.49
CTSK P43235 9/20 0.49
CTSL P07711 2/20 0.49
CTSB P07858 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
MMP13 P45452 2/20 0.47
CAPN1 P07384 1/20 0.43
AAK1 Q2M2I8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 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
SCHEMBL245079 0.84 CTSK (0.65) CTSSCTSKCTSLCTSBCA1
SCHEMBL7424230 0.84 CTSK (0.65) CTSSCTSKCTSLCTSBCA1
SCHEMBL580779 0.84 PPARA (0.53) CTSSCTSKCTSLCTSBCA1
SCHEMBL14923491 0.84 CTSS (0.49) CTSSCTSKCTSLCTSBCA1
SCHEMBL10796108 0.84 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL4452913 0.84 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL10796111 0.84 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL588912 0.84 PPARA (0.53) CTSSCTSKCTSLCTSBCA1
SCHEMBL3686092 0.84 CTSK (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL527131 0.84 PPARA (0.53) CTSSCTSKCTSLCTSBCA1

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-7662856-B2 Compositions having antimycrobial activity including a hydroxamate or a hydroxamate and a hydroxlyamine THE UNIVERSITY OF HOUSTON SYSTEM (US) 2010-02-16 US disclosed
US-20080249181-A1 Compositions Having Antimycrobial Activity Including a Hydroxamate or a Hydroxamate and a Hydroxlyamine KOHN HAROLD 2008-10-09 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-20080249181-A1 Compositions Having Antimycrobial Activity Including a Hydroxamate or a Hydroxamate and a Hydroxlyamine CD68, HAAO, HOGA1 CTSS 1236/4885CTSK 781/4885CTSL 1178/4885

“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.