SCHEMBL3757938

SCHEMBL3757938

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.69
CTSK P43235 4/20 0.69
CA2 P00918 1/20 0.53
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
ANPEP P15144 1/20 0.47
BACE1 P56817 4/20 0.47
TSHR P16473 1/20 0.47
MMP13 P45452 2/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
KLK5 Q9Y337 1/20 0.45
EPHX2 P34913 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45

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
SCHEMBL1918997 1.00 CTSS (0.69) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL1918995 1.00 CTSS (0.69) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL21887355 0.88 CTSK (0.69) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL1105463 0.88 CTSK (0.69) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL18793329 0.87 CTSS (0.67) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL29147405 0.87 CTSS (0.67) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL10210703 0.87 CTSS (0.67) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL5730481 0.87 CTSS (0.67) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL1919361 0.86 CTSS (0.57) CTSSCTSKCA2KDM4EALDH1A1
SCHEMBL1919364 0.86 CTSS (0.57) CTSSCTSKCA2KDM4EALDH1A1

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 5 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
EP-0318091-B1 RESOLVED AMINO PYRROLIDINE NEUROPROTECTIVE AGENTS MERCK SHARP & DOHME LTD. (GB) 1992-12-09 EP disclosed
US-4863953-A [3R]-3-amino-1-hydroxy pyrrolidin-2-one and its use as a neuroprotective agent MERCK & CO., INC. (US) 1989-09-05 US disclosed
EP-0318091-A2 Resolved amino pyrrolidine neuroprotective agents MERCK SHARP & DOHME LTD. (GB) 1989-05-31 EP 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 781/4885CA2 488/4885

“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.