SCHEMBL5657978

SCHEMBL5657978

CC(C)(C)OC(=O)N1CCCN1C(=O)CC(CC1CCCC1)N(O)C=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.42
CTSS P25774 1/20 0.34
EPHX1 P07099 1/20 0.32
CTSL P07711 4/20 0.32
CTSB P07858 4/20 0.32
CTSH P09668 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL5659314 0.83 CTSK (0.31) CTSKCTSLCTSBCTSH
SCHEMBL5657935 0.82 DPP4 (0.33)
SCHEMBL5658572 0.79 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL5657974 0.77 CTSK (0.41) CTSK
SCHEMBL5656723 0.75 GRM3 (0.42) ALDH1A1SMN1; SMN2HPGD
SCHEMBL5660846 0.75 DPP4 (0.42) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL14573070 0.75 CTSK (0.41) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5659471 0.75
SCHEMBL5655978 0.73 RECQL (0.38) CTSSEPHX1CTSLALDH1A1MAPT
SCHEMBL5659416 0.73 POLB (0.37) CTSSCTSLMEN1ALDH1A1KMT2A

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-7192953-B2 Antibacterial agents VERNALIS (OXFORD) LIMITED (GB) 2007-03-20 US disclosed
US-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine VERNALIS (OXFORD) LIMITED (GB) 2006-06-15 US disclosed
EP-1567504-A1 ANTIBACTERIAL AGENTS Vernalis (Oxford) Ltd (GB) 2005-08-31 EP disclosed
WO-2004050638-A1 ANTIBACTERIAL AGENTS VERNALIS (OXFORD) LTD. (GB) 2004-06-17 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-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine HRH2, HCAR3, HCAR2 CTSK 1622/4885CTSS 635/4885EPHX1 2666/4885

“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.