SCHEMBL3869381

SCHEMBL3869381

N#C[C@H](CCc1ccccc1)NC(=O)[C@@H](N)CC(F)(F)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.67
CTSB P07858 3/20 0.49
CTSF Q9UBX1 1/20 0.49
CTSS P25774 11/20 0.49
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CTSH P09668 1/20 0.45
CYP2D6 P10635 1/20 0.45
CTSK P43235 1/20 0.45
CTSL P07711 3/20 0.44

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
SCHEMBL5464894 0.81 CTSC (1.00) CTSCCTSBCTSSCYP1A2CYP3A4
SCHEMBL6630308 0.79 CTSC (0.66) CTSCCTSBCTSFCTSSCTSL
SCHEMBL6062237 0.79 CTSC (0.66) CTSCCTSBCTSFCTSSCTSL
SCHEMBL6630078 0.79 CTSC (0.66) CTSCCTSBCTSFCTSSCTSL
SCHEMBL6802825 0.79 CTSC (0.77) CTSCCTSSCYP1A2CYP3A4CTSH
SCHEMBL3870538 0.78 CTSS (0.48) CTSCCTSBCTSSCTSKCTSL
SCHEMBL13937579 0.77 CTSS (0.82) CTSBCTSSCTSKCTSL
SCHEMBL6061898 0.75 CTSC (0.67) CTSCCTSBCTSSCTSL
SCHEMBL6063126 0.75 CTSC (0.67) CTSCCTSBCTSSCTSL
SCHEMBL6627501 0.75 CTSC (0.67) CTSCCTSBCTSSCTSL

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 CTSC 14/4885CTSB 1/4885CTSF 5/4885

“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.