SCHEMBL6182776

SCHEMBL6182776

N#CCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2csc(NC(=N)N)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.64
CTSB P07858 8/20 0.64
CTSK P43235 6/20 0.64
CTSL P07711 15/20 0.59
CTSV O60911 4/20 0.54

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
SCHEMBL7449444 0.86 CTSB (0.46) CTSSCTSBCTSK
SCHEMBL6182766 0.84 CTSS (0.64) CTSSCTSBCTSKCTSLCTSV
SCHEMBL6186012 0.84 ALDH1A1 (0.50) CTSB
SCHEMBL7449461 0.83 CTSS (0.47) CTSSCTSBCTSKCTSL
SCHEMBL6184390 0.81 CTSL (0.59) CTSSCTSBCTSKCTSLCTSV
SCHEMBL6184065 0.78 CTSS (0.68) CTSSCTSBCTSKCTSLCTSV
SCHEMBL7455830 0.77 KMT2A (0.44)
SCHEMBL6021768 0.77 CTSL (1.00) CTSSCTSBCTSKCTSLCTSV
SCHEMBL5517755 0.77 CTSL (1.00) CTSSCTSBCTSKCTSLCTSV
SCHEMBL6181733 0.76 KMT2A (0.47)

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
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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 (2 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSB 11/4885CTSK 32/4885
US-20030119788-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.