SCHEMBL1781576

SCHEMBL1781576

CC(=O)C1C(=O)CC(c2cccs2)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
HCAR2 Q8TDS4 1/20 0.44
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAP1LC3B Q9GZQ8 2/20 0.41
LMNA P02545 2/20 0.40
BRD4 O60885 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
AGTR1 P30556 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 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
SCHEMBL12648135 0.84 POLB (0.54) POLBMAPTGAAHCAR2HTT
SCHEMBL12648330 0.83 POLB (0.52) POLBMAPTGAAHCAR2HTT
SCHEMBL12648341 0.81 POLB (0.54) POLBMAPTGAAHCAR2HTT
SCHEMBL11170815 0.73 MAPT (0.50) POLBMAPTGAATSHRSMN1; SMN2
SCHEMBL1520716 0.72 POLB (1.00) POLBMAPTGAAHCAR2HTT
SCHEMBL1781122 0.72 MAPT (0.57) POLBMAPTGAAHCAR2HTT
Acetic Acid SCHEMBL11173187 0.71 BRD4 (0.47) POLBMAPTGAAHCAR2HTT
SCHEMBL657849 0.70 POLB (0.56) POLBMAPTGAAHCAR2HTT
SCHEMBL1554818 0.70 POLB (0.50) POLBMAPTGAAHCAR2TSHR
SCHEMBL22111733 0.69 POLB (0.54) POLBMAPTGAAHCAR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846747-B2 Compounds and methods for altering lifespan of eukaryotic organisms UNIVERSITY OF ROCHESTER (US) 2014-09-30 US claimed
US-8846747-B2 Compounds and methods for altering lifespan of eukaryotic organisms UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
US-8846747-B2 Compounds and methods for altering lifespan of eukaryotic organisms UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
US-8592430-B2 Quinazolin-oxime derivatives as Hsp90 inhibitors DAC SLR (IT) 2013-11-26 US disclosed
US-20130096175-A1 Compounds and Methods for Altering Lifespan of Eukaryotic Organisms SOUTHERN RESEARCH INSTITUTE (US) 2013-04-18 US disclosed
US-20130096175-A1 Compounds and Methods for Altering Lifespan of Eukaryotic Organisms SOUTHERN RESEARCH INSTITUTE (US) 2013-04-18 US disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
EP-2144889-B1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2012-08-29 EP disclosed
WO-2011062964-A1 COMPOUNDS AND METHODS FOR ALTERING LIFESPAN OF EUKARYOTIC ORGANISMS UNIVERSITY OF ROCHESTER (US) 2011-05-26 WO disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
US-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2011-05-19 US disclosed
EP-2144889-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC S.r.l. (IT) 2010-01-20 EP disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 WO disclosed
WO-2008142720-A2 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS DAC SRL (IT) 2008-11-27 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 (2 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-20110118258-A1 QUINAZOLIN-OXIME DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 POLB 1554/4885MAPT 296/4885GAA 1626/4885
US-20130096175-A1 Compounds and Methods for Altering Lifespan of Eukaryotic Organisms HDAC5, AADAC, SIRT1 POLB 2377/4885MAPT 2167/4885GAA 1628/4885

“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.