SCHEMBL6404227

SCHEMBL6404227

CC(C)(C)[C@@H](OC(=O)Oc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccncc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
USP2 O75604 1/20 0.41
PTGS2 P35354 3/20 0.40
EGFR P00533 1/20 0.40
GSK3B P49841 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6403764 1.00 MAPT (0.41) MAPTUSP2PTGS2EGFRGSK3B
SCHEMBL6403759 1.00 MAPT (0.41) MAPTUSP2PTGS2EGFRGSK3B
SCHEMBL6402682 0.90 MAPT (0.41) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6402677 0.90 MAPT (0.41) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6403652 0.89 PTGS2 (0.46) MAPTPTGS2ALDH1A1NPC1RAB9A
SCHEMBL6410068 0.89 PTGS2 (0.46) MAPTPTGS2ALDH1A1NPC1RAB9A
SCHEMBL6405134 0.89 PTGS2 (0.46) MAPTPTGS2ALDH1A1NPC1RAB9A
SCHEMBL6403478 0.86 MAPT (0.38) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6403481 0.86 MAPT (0.38) MAPTGSK3BPDCD1CD274ALDH1A1
SCHEMBL6408786 0.85 MAPT (0.37) 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 3643/4885USP2 1110/4885PTGS2 2149/4885

“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.