SCHEMBL4904775

SCHEMBL4904775

CN(C)S(=O)(=O)NC(CCC[C@H](NC(=O)O)C(O)C(=O)NCc1cccnc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NAMPT P43490 3/20 0.39
GAA P10253 1/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CTSK P43235 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL5637527 0.84 CTSS (0.48) PKMKMT2ALMNACYP1A2CYP3A4
SCHEMBL5637489 0.84 CTSS (0.48) PKMKMT2ALMNACYP1A2CYP3A4
SCHEMBL6405777 0.80 PKM (0.49) PKMKMT2ALMNAALDH1A1CYP1A2
SCHEMBL6407736 0.80 PKM (0.49) PKMKMT2ALMNAALDH1A1CYP1A2
SCHEMBL6601981 0.80 PKM (0.56) PKMKMT2ALMNACYP1A2CYP3A4
SCHEMBL14260246 0.77 CYP3A4 (0.49) PKMKMT2ACYP3A4CTSK
SCHEMBL4904781 0.71 CTSS (0.44) PKMKMT2ACYP3A4NAMPTCTSK
SCHEMBL4904759 0.71 CTSS (0.44) PKMKMT2ACYP3A4NAMPTCTSK
SCHEMBL8369521 0.71 CYP3A4 (0.52) PKMKMT2ACYP3A4NAMPTCTSK
SCHEMBL6648989 0.70 PKM (0.49) PKMKMT2ALMNACYP1A2CYP3A4

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 PKM 737/4885KMT2A 1064/4885LMNA 2025/4885

“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.