SCHEMBL6403738

SCHEMBL6403738

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
GSK3B P49841 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PTPN1 P18031 2/20 0.37
ENPP2 Q13822 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
BCL9 O00512 1/20 0.35

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
SCHEMBL6403127 1.00 MAPT (0.41) MAPTNPC1PKMRAB9AHDAC8
SCHEMBL6407680 1.00 MAPT (0.41) MAPTNPC1PKMRAB9AHDAC8
SCHEMBL6402682 0.91 MAPT (0.41) MAPTNPC1PKMRAB9AHDAC8
SCHEMBL6402677 0.91 MAPT (0.41) MAPTNPC1PKMRAB9AHDAC8
SCHEMBL6406161 0.83 MAPT (0.37) MAPTNPC1RAB9AHDAC8GSK3B
SCHEMBL6408790 0.83 MAPT (0.37) MAPTNPC1RAB9AHDAC8GSK3B
SCHEMBL6408786 0.83 MAPT (0.37) MAPTNPC1RAB9AHDAC8GSK3B
SCHEMBL6403764 0.81 MAPT (0.41) MAPTNPC1PKMRAB9AHDAC8
SCHEMBL6403759 0.81 MAPT (0.41) MAPTNPC1PKMRAB9AHDAC8
SCHEMBL6404227 0.81 MAPT (0.41) MAPTNPC1PKMRAB9AHDAC8

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 MAPT 3643/4885NPC1 662/4885PKM 686/4885

“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.