SCHEMBL6402682

SCHEMBL6402682

CC(C)(C)C(OC(=O)Oc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
GSK3B P49841 3/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 4/20 0.38
HDAC8 Q9BY41 2/20 0.38
PTPN1 P18031 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
NPC1 O15118 4/20 0.37
PKM P14618 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6402677 1.00 MAPT (0.41) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6408786 0.92 MAPT (0.37) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6408790 0.92 MAPT (0.37) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6406161 0.92 MAPT (0.37) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6403738 0.91 MAPT (0.41) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6407680 0.91 MAPT (0.41) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6403127 0.91 MAPT (0.41) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6403764 0.90 MAPT (0.41) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6403759 0.90 MAPT (0.41) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6404227 0.90 MAPT (0.41) MAPTGSK3BPDCD1CD274ALDH1A1

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 MAPT 3643/4885GSK3B 584/4885PDCD1 4301/4885

“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.