SCHEMBL6739717

SCHEMBL6739717

N#CC(NC(=O)[C@@H](N)CS(=O)(=O)Cc1ccccc1)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 15/20 0.48
CTSL P07711 1/20 0.40
CTSS P25774 3/20 0.39
CTSB P07858 2/20 0.39
CTSK P43235 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CTSH P09668 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CTSF Q9UBX1 1/20 0.35

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
SCHEMBL6062814 0.88 CTSC (0.40) CTSCCTSLCTSSCTSBCTSK
SCHEMBL6649637 0.88 CTSC (0.40) CTSCCTSLCTSSCTSBCTSK
SCHEMBL6063016 0.81 CTSC (0.43) CTSCCTSLCTSSCTSBCTSK
SCHEMBL6063011 0.80 CTSC (0.38) CTSCCTSLCTSSCTSBCYP3A4
SCHEMBL6840887 0.80 CTSC (0.44) CTSCCTSLCTSSCTSKCYP1A2
SCHEMBL6742782 0.74 CTSC (0.49) CTSCCTSLCTSSCTSBCTSK
SCHEMBL6742769 0.72 CTSC (0.47) CTSCCTSLCTSSCTSBCTSK
SCHEMBL6742169 0.72 CTSC (0.47) CTSCCTSLCTSSCTSBCTSK
SCHEMBL7375289 0.71 CTSS (0.48) CTSLCTSSCTSBCTSK
SCHEMBL6697770 0.71 TP53 (0.33) CTSSCTSBTP53

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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSC 13/4885CTSL 10/4885CTSS 1/4885

“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.