SCHEMBL6740918

SCHEMBL6740918

N#CCNC(=O)C(CNC(=O)c1ccccc1)S(=O)(=O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.47
PPARG P37231 8/20 0.47
CTSL P07711 5/20 0.43
CTSS P25774 4/20 0.43
CTSB P07858 3/20 0.43
ALOX5 P09917 2/20 0.43
CTSK P43235 2/20 0.42

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
SCHEMBL7666657 0.92 EPHX2 (0.42) EPHX2PPARGCTSLCTSSCTSB
SCHEMBL6737525 0.90 CTSL (0.46) EPHX2CTSLCTSSCTSBCTSK
SCHEMBL7663596 0.89 CTSL (0.47) EPHX2PPARGCTSLCTSSCTSB
SCHEMBL7663180 0.86 CTSL (0.41) EPHX2PPARGCTSLCTSSCTSB
SCHEMBL6740637 0.86 CTSL (0.46) CTSLCTSSCTSBCTSK
SCHEMBL6062636 0.85 CTSL (0.46) CTSLCTSSCTSBCTSK
SCHEMBL6062021 0.85 PPARG (0.46) EPHX2PPARGCTSLCTSSCTSB
SCHEMBL6737451 0.85 ALDH1A1 (0.50) CTSLCTSSCTSBCTSK
SCHEMBL7662418 0.84 CTSL (0.46) CTSLCTSSCTSBCTSK
SCHEMBL6744437 0.84 CTSL (0.46) EPHX2CTSLCTSSCTSBCTSK

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 EPHX2 2297/4885PPARG 1955/4885CTSL 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.