SCHEMBL6408112

SCHEMBL6408112

CC(C)(C)C(COc1ccc(C(N)=O)cc1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAOB P27338 2/20 0.43
PARP10 Q53GL7 1/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
CYP19A1 P11511 1/20 0.42
HTR2A P28223 1/20 0.42
MEN1 O00255 1/20 0.42
HGFAC Q04756 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6408106 1.00 TSHR (0.48) TSHRMAPTSMN1; SMN2LMNAGAA
SCHEMBL6410126 0.83 MAOB (0.49) MAPTSMN1; SMN2LMNAMAOBKMT2A
SCHEMBL6410121 0.83 MAOB (0.49) MAPTSMN1; SMN2LMNAMAOBKMT2A
SCHEMBL5630433 0.78 MAPT (0.43) MAPTSMN1; SMN2LMNAKMT2ACYP19A1
SCHEMBL5630443 0.78 MAPT (0.43) MAPTSMN1; SMN2LMNAKMT2ACYP19A1
SCHEMBL4781079 0.73 MEN1 (0.57) TSHRMAPTSMN1; SMN2LMNAGAA
SCHEMBL4390124 0.71 HTR2A (0.50) MAPTSMN1; SMN2GAAKMT2APKM
SCHEMBL4390129 0.71 HTR2A (0.50) MAPTSMN1; SMN2GAAKMT2APKM
SCHEMBL23922815 0.70 HTR2A (0.54) MAPTSMN1; SMN2LMNAGAAKMT2A
SCHEMBL21097121 0.70 HTR2A (0.54) MAPTSMN1; SMN2LMNAGAAKMT2A

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 3 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

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 TSHR 3805/4885MAPT 3643/4885SMN1; SMN2 4636/4885

“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.