SCHEMBL245079

SCHEMBL245079

CCC(NC(=O)OC(C)(C)C)C(=O)NO

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.65
CTSS P25774 10/20 0.65
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
MMP13 P45452 2/20 0.48
CAPN1 P07384 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL7424230 1.00 CTSK (0.65) CTSKCTSSCTSLCTSBCA1
SCHEMBL8140278 0.86 CTSK (0.67) CTSKCTSSCTSLCTSBCA1
SCHEMBL16255614 0.86 CTSK (0.65) CTSKCTSSCTSLCTSBCA1
SCHEMBL30660249 0.86 CTSK (0.65) CTSKCTSSCTSLCTSBCA1
SCHEMBL3686092 0.86 CTSK (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL24815320 0.86 CTSK (0.65) CTSKCTSSCTSLCTSBCA1
SCHEMBL3684502 0.84 CTSS (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL245261 0.84 CTSK (0.68) CTSKCTSSCTSLCTSBCA1
SCHEMBL10076128 0.84 CTSK (0.63) CTSKCTSSCTSLCTSBCA1
SCHEMBL8239753 0.84 CTSS (0.72) CTSKCTSSCTSLCTSBCAPN1

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-20140045943-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof NAUREX, INC. (US) 2014-02-13 US disclosed
US-20120004309-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof KHAN AMIN (US) 2012-01-05 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 (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-20120004309-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof GLS, HGFAC, AADAC CTSK 251/4885CTSS 416/4885CTSL 426/4885
US-20140045943-A1 Hydroxamic Acid Derivatives, Preparation and Therapeutic Uses Thereof GLS, HGFAC, AADAC CTSK 251/4885CTSS 416/4885CTSL 426/4885

“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.