SCHEMBL6402519

SCHEMBL6402519

CCOc1ccc(OCC)c2c1ncn2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CACNA2D1 P54289 1/20 0.34
AMY1A P0DUB6 1/20 0.33
PKM P14618 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2269411 0.77 PDE4A (0.49) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL27249581 0.75 ALDH1A1 (0.43) KDM4EMAPK1CTSSCTSKLMNA
SCHEMBL2271059 0.68 PDE4D (0.42) KDM4EMAPK1HSD17B10LMNATP53
SCHEMBL21218331 0.67 CTSS (0.41) KDM4EMAPK1HSD17B10CTSSCTSK
SCHEMBL6606317 0.66 KDM4E (0.38) KDM4EMAPK1HSD17B10LMNAL3MBTL1
SCHEMBL11479180 0.64 ALDH1A1 (0.50) KDM4EMAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL12251441 0.62 L3MBTL1 (0.41) KDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL8047422 0.62 KDM4E (0.44) KDM4EMAPK1HSD17B10ALDH1A1PKM
SCHEMBL14566602 0.62 ADORA1 (0.53) MAPK1PKM
SCHEMBL31140540 0.62 TSHR (0.46) HSD17B10CTSSCTSKLMNASMN1; 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 4 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
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 KDM4E 258/4885MAPK1 3649/4885HSD17B10 873/4885

“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.