SCHEMBL10072672

SCHEMBL10072672

COC(=O)C(NC(=O)c1coc(-c2coc(-c3coc(C(NC(=O)OC(C)(C)C)C(=O)O)n3)n2)n1)c1nc(-c2nc(-c3nc(C(=O)OCc4ccccc4)co3)co2)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
PPARA Q07869 2/20 0.36
ELANE P08246 1/20 0.36
SYK P43405 1/20 0.36
C3AR1 Q16581 2/20 0.36
ATM Q13315 2/20 0.34
KLK5 Q9Y337 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
JAK2 O60674 1/20 0.34
PPARG P37231 1/20 0.34
CTSL P07711 1/20 0.34
KLK7 P49862 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL10045782 0.98 MAPT (0.41) MAPTPPARAELANESYKC3AR1
SCHEMBL10045787 0.95 MAPT (0.43) MAPTPPARASYKATMKLK5
SCHEMBL800428 0.85 ATM (0.46) MAPTPPARASYKATMKLK5
SCHEMBL10045779 0.81 C3AR1 (0.35) MAPTC3AR1ATMKLK5TSHR
SCHEMBL800936 0.80 ATM (0.41) PPARAELANEATMCTSLPKM
SCHEMBL10045825 0.79 MAPT (0.56) MAPTSYKC3AR1KLK5L3MBTL1
SCHEMBL10045786 0.78 DAGLA (0.37) MAPTELANEATMALDH1A1LMNA
SCHEMBL800816 0.77 MAPT (0.54) MAPTSYKKLK5L3MBTL1KLK7
SCHEMBL10045817 0.76 MAPT (0.59) MAPTSYKKLK5L3MBTL1KLK7
SCHEMBL10045819 0.76 MAPT (0.52) MAPTSYKC3AR1KLK5L3MBTL1

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-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL MAPT 1974/4885PPARA 2968/4885ELANE 1674/4885

“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.