SCHEMBL6741598

SCHEMBL6741598

N#CCNC(=O)C(CNC(=O)c1ccccc1)S(=O)(=O)Cc1ccccc1I

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.46
CTSB P07858 8/20 0.46
CTSS P25774 7/20 0.46
ITGAV P06756 1/20 0.45
CTSK P43235 5/20 0.45
CTSV O60911 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6737451 0.88 ALDH1A1 (0.50) CTSLCTSBCTSSITGAVCTSK
SCHEMBL6744804 0.87 CTSL (0.46) CTSLCTSBCTSSITGAVCTSK
SCHEMBL6740637 0.87 CTSL (0.46) CTSLCTSBCTSSCTSK
SCHEMBL6740031 0.87 CTSL (0.46) CTSLCTSBCTSSITGAVCTSK
SCHEMBL6740731 0.87 CTSL (0.46) CTSLCTSBCTSSCTSK
SCHEMBL6061910 0.86 CTSL (0.56) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7656140 0.85 ITGAV (0.48) CTSLCTSBCTSSITGAVCTSK
SCHEMBL7661877 0.84 CTSL (0.43) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6740918 0.84 EPHX2 (0.47) CTSLCTSBCTSSCTSK
SCHEMBL6737541 0.83 CTSL (0.43) CTSLCTSBCTSSCTSK

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 CTSL 10/4885CTSB 2/4885CTSS 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.