SCHEMBL4425402

SCHEMBL4425402

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

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSC P53634 14/20 0.71
CTSL P07711 6/20 0.56
CTSK P43235 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CTSH P09668 1/20 0.55
CYP2D6 P10635 1/20 0.55
CTSS P25774 1/20 0.52

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
SCHEMBL5906582 1.00 CTSC (0.71) CTSCCTSLCTSKCYP1A2CYP3A4
SCHEMBL5564472 0.86 CTSC (0.70) CTSCCTSLCTSKCYP1A2CYP3A4
SCHEMBL5564477 0.86 CTSC (0.70) CTSCCTSLCTSKCYP1A2CYP3A4
SCHEMBL3499841 0.86 CTSC (0.59) CTSCCTSLCTSKCTSS
SCHEMBL20397730 0.85 CTSC (0.64) CTSCCTSLCTSKCYP1A2CYP3A4
SCHEMBL10961618 0.85 CTSL (0.70) CTSCCTSLCTSKCYP1A2CYP3A4
SCHEMBL15254330 0.85 CTSC (0.55) CTSCCTSLCTSKCYP1A2CYP3A4
SCHEMBL2074452 0.85 CTSC (0.55) CTSCCTSLCTSKCYP1A2CYP3A4
SCHEMBL18262589 0.85 CTSC (0.54) CTSCCTSLCTSKCYP1A2CYP3A4
SCHEMBL20397731 0.85 CTSC (0.64) CTSCCTSLCTSKCYP1A2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264479-A1 Papain Family Cysteine Protease Inhibitors for the Treatment of Parasitic Diseases MERCK FROSST CANADA LTD. (CA) 2009-10-22 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-20090264479-A1 Papain Family Cysteine Protease Inhibitors for the Treatment of Parasitic Diseases CTSL, CSTB, PREP CTSC 23/4885CTSL 1/4885CTSK 54/4885

“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.