SCHEMBL6692449

SCHEMBL6692449

CCC[C@H](NC(=O)C(N)Cc1cccs1)C(O)c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSC P53634 17/20 0.48
BACE1 P56817 2/20 0.40
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6692447 1.00 CTSC (0.48) CTSCBACE1CTSLCTSSMEN1
SCHEMBL6630423 1.00 CTSC (0.48) CTSCBACE1CTSLCTSSMEN1
SCHEMBL6653200 0.86 BACE1 (0.38) CTSCBACE1MEN1ALDH1A1CYP1A2
SCHEMBL6628301 0.86 BACE1 (0.38) CTSCBACE1MEN1ALDH1A1CYP1A2
SCHEMBL6653196 0.86 BACE1 (0.38) CTSCBACE1MEN1ALDH1A1CYP1A2
SCHEMBL6655217 0.86 BACE1 (0.38) CTSCBACE1MEN1ALDH1A1CYP1A2
SCHEMBL5526913 0.84 NPC1 (0.37) ALDH1A1KMT2A
SCHEMBL6062966 0.83 CTSK (0.51) BACE1CTSLCTSS
SCHEMBL6062962 0.83 CTSK (0.51) BACE1CTSLCTSS
SCHEMBL6062971 0.83 CTSK (0.51) BACE1CTSLCTSS

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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSC 13/4885BACE1 53/4885CTSL 11/4885

“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.