SCHEMBL6404497

SCHEMBL6404497

CC(C)(C)[C@H](O)Cn1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.37
KDR P35968 2/20 0.37
FGFR1 P11362 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSS P25774 4/20 0.35
CTSK P43235 4/20 0.35
CTSV O60911 2/20 0.35
TRPV3 Q8NET8 1/20 0.35
CTSB P07858 2/20 0.35
CTSL P07711 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
XPO1 O14980 1/20 0.34
ADRB2 P07550 1/20 0.33
AR P10275 1/20 0.33
KDM2B Q8NHM5 2/20 0.32

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
SCHEMBL5631188 0.88 CTSS (0.43) MEN1LMNAMAPTMAPK1KMT2A
SCHEMBL6407470 0.79 LMNA (0.47) MEN1LMNAMAPTMAPK1KMT2A
SCHEMBL14384104 0.70 LMNA (0.41) MEN1LMNAMAPTMAPK1KMT2A
SCHEMBL14405161 0.66 CYP2E1 (0.50) KDRLMNAMAPTSMN1; SMN2CTSS
SCHEMBL5632035 0.64 NPC1 (0.43) EGFRKDRFGFR1LMNAMAPT
SCHEMBL5410313 0.64 HPGDS (0.55) LMNAMAPTKDM5BKDM4C
SCHEMBL5632034 0.63 NPC1 (0.42) KDRLMNAMAPTCTSSCTSK
SCHEMBL6602311 0.63 SLC5A2 (0.42) LMNAMAPTMAPK1
SCHEMBL6403518 0.62 CTSK (0.44) LMNACTSSCTSKCTSVTRPV3
SCHEMBL6406135 0.62 CTSK (0.44) LMNACTSSCTSKCTSVTRPV3

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 EGFR 3574/4885KDR 3461/4885FGFR1 2035/4885

“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.