SCHEMBL6402830

SCHEMBL6402830

CC(C)(C)[C@H](O)c1nnc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GSK3B P49841 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
HDAC6 Q9UBN7 2/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL6606243 1.00 KDM4E (0.49) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL6404383 1.00 KDM4E (0.49) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL6401756 0.86 KDM4E (0.45) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL6407995 0.86 KDM4E (0.45) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL6404167 0.86 KDM4E (0.45) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL6406235 0.85 KDM4E (0.37) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL13899141 0.85 KDM4E (0.51) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL6401669 0.83 PKM (0.53) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL6403458 0.83 PKM (0.53) KDM4EALDH1A1CYP1A2POLBCYP2C19
SCHEMBL6408007 0.83 PKM (0.53) KDM4EALDH1A1CYP1A2POLBCYP2C19

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 2 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
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 258/4885ALDH1A1 2900/4885CYP1A2 1519/4885

“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.