SCHEMBL6740794

SCHEMBL6740794

N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.47
CTSB P07858 11/20 0.47
CTSL P07711 8/20 0.47
CTSK P43235 4/20 0.41
CTSF Q9UBX1 1/20 0.40
SCN9A Q15858 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL6737504 0.87 CTSL (0.63) CTSSCTSBCTSLCTSK
SCHEMBL6737501 0.87 CTSL (0.63) CTSSCTSBCTSLCTSK
SCHEMBL1556740 0.85 CTSS (0.65) CTSSCTSBCTSLCTSKCTSF
SCHEMBL1556742 0.85 CTSS (0.65) CTSSCTSBCTSLCTSKCTSF
SCHEMBL6742212 0.85 CTSS (0.46) CTSSCTSBCTSLCTSKCTSF
SCHEMBL6061787 0.84 CTSS (0.45) CTSSCTSBCTSLCTSKCTSF
SCHEMBL6744795 0.84 CTSL (0.57) CTSSCTSBCTSLCTSK
SCHEMBL1558022 0.84 CTSL (0.57) CTSSCTSBCTSLCTSK
SCHEMBL6740829 0.84 CTSS (0.48) CTSSCTSBCTSLCTSK
SCHEMBL7682670 0.83 CTSL (0.56) CTSSCTSBCTSLCTSK

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 claimed
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 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 CTSS 1/4885CTSB 2/4885CTSL 10/4885

“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.