SCHEMBL6737536

SCHEMBL6737536

N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 13/20 0.54
CTSS P25774 13/20 0.54
CTSL P07711 10/20 0.54
CTSK P43235 5/20 0.50

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 0.90 CTSL (0.63) CTSBCTSSCTSLCTSK
SCHEMBL6737501 0.90 CTSL (0.63) CTSBCTSSCTSLCTSK
SCHEMBL1557818 0.90 CTSS (0.52) CTSBCTSSCTSLCTSK
SCHEMBL1558022 0.90 CTSL (0.57) CTSBCTSSCTSLCTSK
SCHEMBL6744795 0.90 CTSL (0.57) CTSBCTSSCTSLCTSK
SCHEMBL6737523 0.89 CTSL (0.53) CTSBCTSSCTSLCTSK
SCHEMBL6062036 0.89 CTSB (0.51) CTSBCTSSCTSLCTSK
SCHEMBL6063726 0.89 CTSL (0.55) CTSBCTSSCTSLCTSK
SCHEMBL1557323 0.89 CTSS (0.47) CTSBCTSSCTSLCTSK
SCHEMBL1987463 0.89 CTSS (0.47) CTSBCTSSCTSLCTSK

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-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 CTSB 2/4885CTSS 1/4885CTSL 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.