Sugi Predict

Sugi Predict / Compounds / SCHEMBL7363969

SCHEMBL7363969

SCHEMBL7363969

CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N(C(=O)OCc1ccccc1)c1n[nH]c(=S)s1)C(C)C.CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 0.47
▸ CTSB P07858 4/20 0.47
▸ CTSL P07711 4/20 0.42
▸ CTSS P25774 3/20 0.42
▸ CAPN1 P07384 1/20 0.42
▸ PSMB1 P20618 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
SCHEMBL7364809 0.92 MMP3 (0.39) CTSKCTSBCTSLCTSS
SCHEMBL7361335 0.85 MMP3 (0.42) CTSKCTSBCTSLCTSS
SCHEMBL7394273 0.84 ITGB3 (0.44) —
SCHEMBL7357732 0.84 MMP3 (0.46) CTSKCTSBCTSLCTSS
SCHEMBL8903088 0.82 MMP3 (0.37) CTSKCTSBCTSLCTSS
SCHEMBL7357864 0.82 MMP3 (0.43) CTSKCTSBCTSLCTSSCAPN1
SCHEMBL7364939 0.82 ERAP2 (0.40) CTSKCTSBCTSLCTSS
SCHEMBL7426196 0.82 MMP3 (0.44) CTSKCTSBCTSLCTSS
SCHEMBL7423322 0.81 ERAP2 (0.40) —
SCHEMBL7360915 0.81 MMP3 (0.38) CTSKCTSBCTSLCTSS

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
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 — — EP disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 — — WO disclosed