SCHEMBL6407735

SCHEMBL6407735

CCCC[C@@H]([C@@H](O)C(=O)NCc1cccnc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
TRPV1 Q8NER1 1/20 0.45
CTSK P43235 1/20 0.44
FAAH O00519 2/20 0.44
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NAMPT P43490 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6405771 1.00 PKM (0.51) PKMKMT2ATRPV1CTSKFAAH
SCHEMBL4904759 0.85 CTSS (0.44) PKMKMT2ACTSKNAMPTCYP3A4
SCHEMBL4904781 0.85 CTSS (0.44) PKMKMT2ACTSKNAMPTCYP3A4
SCHEMBL6647675 0.80 KMT2A (0.49) PKMKMT2ATRPV1CTSKFAAH
SCHEMBL6406277 0.79 CTSK (0.43) CTSKLMNAMAPT
SCHEMBL6601981 0.78 PKM (0.56) PKMKMT2ATRPV1CTSKFAAH
Hydrochloric Acid SCHEMBL5630294 0.78 PKM (0.58) PKMKMT2ATRPV1CTSKFAAH
SCHEMBL10352870 0.77 KMT2A (0.80) PKMKMT2ATRPV1CTSKFAAH
SCHEMBL8369521 0.75 CYP3A4 (0.52) PKMKMT2ATRPV1CTSKNAMPT
SCHEMBL6404507 0.74 HTT (0.46) CTSKHTTALDH1A1SMN1; SMN2

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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ PKM 686/4885KMT2A 388/4885TRPV1 4400/4885

“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.