SCHEMBL6408007

SCHEMBL6408007

CC(C)(C)C(O)c1nnc(-c2ccncc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.53
TP53 P04637 1/20 0.53
KDM4E B2RXH2 7/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
ATAD2 Q6PL18 2/20 0.47
USP2 O75604 1/20 0.44
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 4/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL6401669 1.00 PKM (0.53) PKMTP53KDM4EL3MBTL1RAB9A
SCHEMBL6403458 1.00 PKM (0.53) PKMTP53KDM4EL3MBTL1RAB9A
SCHEMBL6404383 0.83 KDM4E (0.49) KDM4ERAB9ANPC1CYP2C19CYP1A2
SCHEMBL6402830 0.83 KDM4E (0.49) KDM4ERAB9ANPC1CYP2C19CYP1A2
SCHEMBL6606243 0.83 KDM4E (0.49) KDM4ERAB9ANPC1CYP2C19CYP1A2
SCHEMBL6402847 0.82 NPC1 (0.52) TP53KDM4ERAB9ANPC1CYP2C19
SCHEMBL6403656 0.82 NPC1 (0.52) TP53KDM4ERAB9ANPC1CYP2C19
SCHEMBL6410954 0.82 NPC1 (0.52) TP53KDM4ERAB9ANPC1CYP2C19
SCHEMBL26288191 0.78 PKM (0.63) PKMTP53KDM4EL3MBTL1RAB9A
SCHEMBL19866360 0.75 PKM (0.55) PKMTP53KDM4EL3MBTL1RAB9A

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 3 patents. 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
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ PKM 686/4885TP53 4513/4885KDM4E 258/4885

“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.