SCHEMBL2204607

SCHEMBL2204607

COC(=O)c1cnc2cc(O)cc(O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 4/20 0.49
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
KDM4E B2RXH2 5/20 0.43
LMNA P02545 3/20 0.43
XDH P47989 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2204008 0.84 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2202895 0.80 PDGFRB (0.49) CA12CA1CA2CA7CA9
SCHEMBL2199238 0.80 PSMD14 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1043657 0.75 HPGDS (0.52) CA12CA1CA2CA7CA9
SCHEMBL25653167 0.73 HPGDS (0.44) CA1CA2KDM4EL3MBTL1MAPK1
SCHEMBL1353856 0.72 ALOX15 (0.54) CA12CA1CA2CA7CA9
SCHEMBL19021420 0.72 HPGDS (0.43) CA1CA2KDM4EL3MBTL1MAPK1
SCHEMBL17703486 0.71 KDM4E (0.55) CA12CA1CA2CA7CA9
SCHEMBL23112595 0.71 PSMD14 (0.48) KDM4ELMNAL3MBTL1GAAMAPK1
SCHEMBL28909103 0.71 MAPK1 (0.45) KDM4EL3MBTL1POLBMAPK1ATM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868998-B1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS VFP THERAPIES (FR) 2016-05-25 EP disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
EP-1868998-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS Insa Rouen (FR) 2007-12-26 EP disclosed
WO-2006103120-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2006-10-05 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-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP CA12 1032/4885CA1 182/4885CA2 396/4885

“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.