SCHEMBL6801912

SCHEMBL6801912

NC(=O)c1cc(C[CH]C(=O)N2CCC3OCC(=O)C32)ccn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.36
CTSK P43235 5/20 0.36
CTSV O60911 4/20 0.36
CTSL P07711 3/20 0.36
CSF1R P07333 1/20 0.33
GRM2 Q14416 3/20 0.32
MMP12 P39900 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
GSK3B P49841 2/20 0.31
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL7019334 0.84 CTSS (0.40) CTSSCTSKCTSVCTSL
SCHEMBL7017633 0.80 CTSS (0.40) CTSSCTSKCTSVCTSL
SCHEMBL7019497 0.79 CTSS (0.40) CTSSCTSKCTSVCTSL
SCHEMBL7017077 0.79 CTSS (0.38) CTSSCTSKCTSVCTSLOPRK1
SCHEMBL5139348 0.79 CTSS (0.38) CTSSCTSKCTSVCTSL
SCHEMBL7016835 0.79 CTSS (0.41) CTSSCTSKCTSVCTSL
SCHEMBL7023387 0.78 CTSS (0.40) CTSSCTSKCTSVCTSL
SCHEMBL7016638 0.78 CTSS (0.40) CTSSCTSKCTSVCTSL
SCHEMBL7018439 0.78 CTSS (0.40) CTSSCTSKCTSVCTSL
SCHEMBL6801202 0.78 CTSK (0.37) CTSSCTSKCTSVCTSL

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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSS 39/4885CTSK 62/4885CTSV 27/4885

“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.