SCHEMBL3622043

SCHEMBL3622043

CC(=NS(=O)(=O)c1ccccc1)N[C@@H](CSCc1ccccc1)C(=O)N(C)C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.39
▸ PPARG P37231 4/20 0.37
▸ PPARA Q07869 4/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ PPARD Q03181 2/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34

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
SCHEMBL3619857 0.83 CTSS (0.42) MEN1KMT2ACTSSCTSKCTSL
SCHEMBL6589208 0.76 CTSL (0.47) ACEPPARGPPARAMEN1LMNA
SCHEMBL7548947 0.75 NPC1 (0.45) ACEPPARGPPARANPC1CTSS
SCHEMBL3621943 0.70 CTSS (0.40) CTSSCTSKCTSLCTSB
SCHEMBL3622046 0.70 CTSS (0.41) NPC1CTSSCTSKCTSLCTSB
SCHEMBL5419957 0.70 MME (0.40) ACEPPARGPPARACTSSCTSK
SCHEMBL3619855 0.69 CTSS (0.52) CTSSCTSKCTSLCTSB
SCHEMBL7112566 0.69 CTSL (0.42) PPARGPPARACTSSCTSKPPARD
SCHEMBL5526397 0.67 CTSS (0.52) ACECTSSCTSKCTSLCTSB
SCHEMBL5526393 0.67 CTSS (0.52) ACECTSSCTSKCTSLCTSB

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-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 — — US disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 — — 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS ACE 107/4885PPARG 2648/4885PPARA 1832/4885

“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.

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