SCHEMBL4904781

SCHEMBL4904781

CN(C)S(=O)(=O)NCCCCC(C(O)C(=O)NCc1cccnc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
TBXAS1 P24557 10/20 0.43
NAMPT P43490 4/20 0.41
FES P07332 1/20 0.40
RET P07949 1/20 0.40
MARK3 P27448 1/20 0.40
TYK2 P29597 1/20 0.40
FLT4 P35916 1/20 0.40
SYK P43405 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4904759 1.00 CTSS (0.44) CTSSCTSKPKMKMT2ATBXAS1
SCHEMBL6405771 0.85 PKM (0.51) CTSKPKMKMT2ANAMPTCYP3A4
SCHEMBL6407735 0.85 PKM (0.51) CTSKPKMKMT2ANAMPTCYP3A4
SCHEMBL6648989 0.83 PKM (0.49) CTSSCTSKPKMKMT2ATBXAS1
SCHEMBL5637527 0.82 CTSS (0.48) CTSSCTSKPKMKMT2ATBXAS1
SCHEMBL5637489 0.82 CTSS (0.48) CTSSCTSKPKMKMT2ATBXAS1
Hydrochloric Acid SCHEMBL4909885 0.82 PKM (0.48) CTSSCTSKPKMKMT2ATBXAS1
SCHEMBL14260246 0.80 CYP3A4 (0.49) CTSSCTSKPKMKMT2ATBXAS1
SCHEMBL6647675 0.77 KMT2A (0.49) CTSKPKMKMT2ANAMPT
SCHEMBL4904956 0.77 CTSS (0.62) CTSSCTSKPKMKMT2ATBXAS1

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 CTSS 2/4885CTSK 1/4885PKM 737/4885

“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.