SCHEMBL6648989

SCHEMBL6648989

CN(C)S(=O)(=O)NCCCC[C@H](N)C(O)C(=O)NCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
TBXAS1 P24557 4/20 0.46
FES P07332 1/20 0.45
RET P07949 1/20 0.45
MARK3 P27448 1/20 0.45
TYK2 P29597 1/20 0.45
FLT4 P35916 1/20 0.45
SYK P43405 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
NAMPT P43490 3/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
Hydrochloric Acid SCHEMBL4909885 0.99 PKM (0.48) PKMKMT2ACTSSCTSKTBXAS1
SCHEMBL5637489 0.86 CTSS (0.48) PKMKMT2ACTSSCTSKTBXAS1
SCHEMBL5637527 0.86 CTSS (0.48) PKMKMT2ACTSSCTSKTBXAS1
SCHEMBL4904759 0.83 CTSS (0.44) PKMKMT2ACTSSCTSKTBXAS1
SCHEMBL4904781 0.83 CTSS (0.44) PKMKMT2ACTSSCTSKTBXAS1
SCHEMBL14260246 0.82 CYP3A4 (0.49) PKMKMT2ACTSSCTSKTBXAS1
Hydrochloric Acid SCHEMBL5630294 0.80 PKM (0.58) PKMKMT2ACTSKFESRET
SCHEMBL5636688 0.77 CTSK (0.63) PKMKMT2ACTSSCTSKTBXAS1
SCHEMBL5636660 0.77 CTSK (0.63) PKMKMT2ACTSSCTSKTBXAS1
SCHEMBL4904948 0.74 CTSS (0.62) PKMKMT2ACTSSCTSKTBXAS1

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 6 patents. 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
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP disclosed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 WO 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 PKM 737/4885KMT2A 1064/4885CTSS 2/4885

“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.