SCHEMBL5419961

SCHEMBL5419961

CC(=S)OC[C@H](CSCc1ccccc1)C(=O)N(C)C#N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.36
▸ CTSB P07858 7/20 0.36
▸ CTSK P43235 7/20 0.36
▸ CTSS P25774 6/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ PPARG P37231 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ ACE P12821 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL5419957 0.81 MME (0.40) CTSLCTSBCTSKCTSSPPARG
SCHEMBL7548947 0.70 NPC1 (0.45) CTSLCTSBCTSKCTSSPPARG
SCHEMBL26919628 0.69 KMT2A (0.42) METAP2PPARGPPARAACEL3MBTL1
SCHEMBL6589208 0.67 CTSL (0.47) CTSLCTSBCTSKCTSSPPARG
SCHEMBL5428404 0.67 METAP2 (0.56) METAP2PPARGPPARAACEL3MBTL1
SCHEMBL3622043 0.67 ACE (0.39) CTSLCTSBCTSKCTSSPPARG
SCHEMBL5422146 0.67 CTSS (0.52) CTSLCTSBCTSKCTSSACE
SCHEMBL5418068 0.66 CYP1A2 (0.55) PPARGPPARAACE
SCHEMBL20408297 0.65 METAP2 (0.54) METAP2PPARGPPARAACEL3MBTL1
SCHEMBL8500116 0.64 PPARA (0.48) METAP2PPARGPPARAACEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSL 11/4885CTSB 2/4885CTSK 8/4885

“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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