SCHEMBL5422983

SCHEMBL5422983

N#CCNC(=O)C(CSCc1ccccc1)CSCc1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.45
▸ CTSS P25774 8/20 0.44
▸ CTSB P07858 8/20 0.44
▸ CTSK P43235 6/20 0.44
▸ CTSL P07711 5/20 0.44
▸ ACE P12821 1/20 0.43
▸ CTSV O60911 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ GPR139 Q6DWJ6 1/20 0.41

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
SCHEMBL5422146 0.89 CTSS (0.52) CTSSCTSBCTSKCTSLACE
SCHEMBL5419962 0.82 CYP1A2 (0.49) CTSSCTSBCTSKCTSLACE
SCHEMBL7544294 0.77 CTSC (0.51) CTSSCTSBCTSKCTSLACE
SCHEMBL5414780 0.76 CTSS (0.46) FOLH1CTSSCTSBCTSKCTSL
SCHEMBL7594265 0.76 CTSB (0.55) FOLH1CTSSCTSBCTSKCTSL
SCHEMBL11231555 0.75 EPHX1 (0.52) FOLH1CTSBLMNAGLAEPHX1
SCHEMBL5426573 0.75 CTSS (0.41) CTSSCTSBCTSKCTSL
SCHEMBL6742386 0.74 CTSS (0.56) CTSSCTSBCTSKCTSLACE
SCHEMBL5524107 0.74 CTSL (0.71) CTSSCTSBCTSKCTSLCTSV
SCHEMBL5524111 0.74 CTSL (0.71) CTSSCTSBCTSKCTSLCTSV

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 FOLH1 435/4885CTSS 1/4885CTSB 2/4885

“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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