SCHEMBL6354752

SCHEMBL6354752

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1ccc(-c2cccc3ccccc23)s1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
CTSK P43235 12/20 0.43
CTSS P25774 2/20 0.43
ANPEP P15144 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
MAP1LC3A Q9H492 1/20 0.40
REN P00797 1/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL6433182 0.87 CTSK (0.58) CTSKCTSSCTSLCTSB
SCHEMBL4678780 0.73 CTSK (0.66) CTSKCTSSCTSLCTSB
SCHEMBL18019199 0.72 CTSS (0.49) CTSKCTSSANPEPMAP1LC3BMAP1LC3A
SCHEMBL20048685 0.71 CTSK (0.48) CTSKCTSSANPEPMAP1LC3BMAP1LC3A
SCHEMBL5551615 0.70 CTSK (0.56) CTSKCTSSMAP1LC3BMAP1LC3AREN
SCHEMBL25283632 0.69 CTSK (0.76) CTSKCTSSRENCTSLCTSB
SCHEMBL4214306 0.69 CTSK (0.76) CTSKCTSSRENCTSLCTSB
SCHEMBL6359855 0.69 DYRK1A (0.51) HPGDS
SCHEMBL4224865 0.69 CTSK (0.50) CTSKCTSSCTSLCTSB
SCHEMBL5556459 0.69 CTSK (0.50) CTSKCTSSCTSLCTSB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2005-07-14 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-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use CTSZ, CTSE, CTSS HPGDS 301/4885CTSK 8/4885CTSS 3/4885

“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.