SCHEMBL800816

SCHEMBL800816

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
SIRT2 Q8IXJ6 10/20 0.40
SIRT1 Q96EB6 7/20 0.40
SIRT3 Q9NTG7 4/20 0.40
SYK P43405 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL10045825 0.97 MAPT (0.56) MAPTSYKPOLBMAPK1KLK7
SCHEMBL10045817 0.94 MAPT (0.59) MAPTSYKPOLBMAPK1KLK7
SCHEMBL10045819 0.92 MAPT (0.52) MAPTSYKPOLBMAPK1KLK7
SCHEMBL10045820 0.89 MAPT (0.61) MAPTSYKPOLBMAPK1KLK7
SCHEMBL800815 0.89 CTSL (0.44) MAPTSIRT2SIRT1SIRT3HDAC3
SCHEMBL10045816 0.88 MAPT (0.59) MAPTSYKPOLBMAPK1KLK7
SCHEMBL10045813 0.87 MAPT (0.67) MAPTSYKPOLBMAPK1KLK7
SCHEMBL800475 0.87 C3AR1 (0.38) MAPTPOLBTDP1
SCHEMBL10045815 0.84 MAPT (0.56) MAPTSYKPOLBMAPK1KLK7
SCHEMBL10045826 0.84 C3AR1 (0.39) MAPTPOLBTDP1

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 MAPT 2056/4885SIRT2 1071/4885SIRT1 897/4885

“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.