SCHEMBL6947429

SCHEMBL6947429

CN(C#N)C(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1ccc(O)cc1.NC(=O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.43
CTSS P25774 6/20 0.43
CTSL P07711 5/20 0.43
CTSK P43235 3/20 0.43
CTSF Q9UBX1 1/20 0.43
CA1 P00915 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KLK7 P49862 1/20 0.32
CA2 P00918 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
SCHEMBL7682674 0.96 CTSB (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL1558021 0.90 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6741608 0.90 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL7658551 0.90 CTSL (0.52) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6061943 0.89 CTSB (0.48) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6062326 0.88 CTSB (0.45) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6062502 0.88 CTSB (0.45) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6063237 0.88 CTSB (0.44) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6063030 0.87 CTSB (0.45) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6947431 0.86 CTSB (0.52) CTSBCTSSCTSLCTSK

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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CTSB 2/4885CTSS 1/4885CTSL 10/4885

“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.