SCHEMBL5532200

SCHEMBL5532200

N#CCNC(=O)C(CNC(=O)c1ccc(-c2ccccc2)cc1)SCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.61
CTSB P07858 8/20 0.61
CTSK P43235 8/20 0.61
CTSL P07711 11/20 0.56
CTSV O60911 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5524114 0.93 CTSL (0.56) CTSSCTSBCTSKCTSLCTSV
SCHEMBL5529048 0.91 CTSL (0.52) CTSSCTSBCTSKCTSLCTSV
SCHEMBL5525939 0.91 CTSL (0.54) CTSSCTSBCTSKCTSLCTSV
SCHEMBL5526844 0.90 CTSL (0.52) CTSSCTSBCTSKCTSLNPC1
SCHEMBL5534170 0.88 L3MBTL1 (0.50) CTSSCTSBCTSKCTSLNPC1
SCHEMBL5518429 0.87 CTSL (0.51) CTSSCTSBCTSKCTSLCTSV
SCHEMBL6739752 0.86 LMNA (0.53) CTSSCTSBCTSKCTSLCTSV
SCHEMBL5526533 0.85 CTSS (0.51) CTSSCTSBCTSKCTSLNPC1
SCHEMBL5529158 0.85 CTSL (0.49) CTSSCTSBCTSKCTSLCTSV
SCHEMBL5527001 0.84 ESRRG (0.51) CTSSCTSBCTSKCTSLNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSB 11/4885CTSK 32/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSB 11/4885CTSK 32/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSS 10/4885CTSB 11/4885CTSK 32/4885

“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.