SCHEMBL4906749

SCHEMBL4906749

CCCC[C@@H](C(O)C(=O)NCc1cccnc1)N(NS(=O)(=O)N(C)C)C(=O)OCC1(Cc2ccc(F)cc2)CCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.58
CTSS P25774 4/20 0.58
CTSL P07711 3/20 0.41
NAMPT P43490 3/20 0.38
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
CTSB P07858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL4906758 0.85 CTSS (0.53) CTSKCTSSNAMPTPKMKMT2A
SCHEMBL14260245 0.80 CTSK (0.78) CTSKCTSSCTSLNAMPTPKM
SCHEMBL6647675 0.79 KMT2A (0.49) CTSKNAMPTPKMKMT2AGAA
SCHEMBL4904948 0.78 CTSS (0.62) CTSKCTSSNAMPTPKMKMT2A
SCHEMBL4904956 0.78 CTSS (0.62) CTSKCTSSNAMPTPKMKMT2A
SCHEMBL14260244 0.73 CTSK (1.00) CTSKCTSSCTSLCTSB
SCHEMBL4899274 0.68 CTSK (0.86) CTSKCTSSCTSLNAMPTCTSB
SCHEMBL4908452 0.68 CTSS (0.70) CTSKCTSSCTSLNAMPTGAA
SCHEMBL4908456 0.68 CTSS (0.70) CTSKCTSSCTSLNAMPTGAA
SCHEMBL6405771 0.65 PKM (0.51) CTSKNAMPTPKMKMT2AALDH1A1

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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSK 1/4885CTSS 2/4885CTSL 12/4885

“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.