SCHEMBL3870538

SCHEMBL3870538

N#CCNC(=O)[C@@H](N)CC(F)(F)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.48
CTSL P07711 11/20 0.48
CTSB P07858 4/20 0.48
CTSC P53634 1/20 0.48
CTSK P43235 6/20 0.47

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
SCHEMBL11889785 0.79 CTSB (0.62) CTSSCTSLCTSBCTSCCTSK
SCHEMBL3873085 0.79 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL5456972 0.79 CTSS (0.67) CTSSCTSLCTSBCTSCCTSK
SCHEMBL16626138 0.79 CTSS (0.67) CTSSCTSLCTSBCTSCCTSK
SCHEMBL5924660 0.79 CTSS (0.67) CTSSCTSLCTSBCTSCCTSK
SCHEMBL11889719 0.78 CTSC (0.44) CTSSCTSLCTSBCTSCCTSK
SCHEMBL4398295 0.78 ALPI (0.55)
SCHEMBL4398300 0.78 ALPI (0.55)
SCHEMBL5405898 0.78 CTSL (0.49) CTSSCTSLCTSBCTSCCTSK
SCHEMBL3869381 0.78 CTSC (0.67) CTSSCTSLCTSBCTSCCTSK

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-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK CTSS 2/4885CTSL 8/4885CTSB 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.