SCHEMBL299578

SCHEMBL299578

O=C(c1ccc2c(c1)OCO2)c1coc2c(Br)c(Br)c(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.46
IGFBP3 P17936 2/20 0.45
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.43
SLC6A4 P31645 1/20 0.43
NPC1 O15118 6/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL299187 0.93 PTGS2 (0.44) PTGS2MAPTNPC1KMT2ARAB9A
SCHEMBL289146 0.83 RAB9A (0.45) PTGS2ALDH1A1MAPTNPC1KMT2A
SCHEMBL290225 0.80 PTGS2 (0.52) SRD5A2PTGS2ALDH1A1MAPTNPC1
SCHEMBL290073 0.79 PTGS2 (0.52) SRD5A2IGFBP3PTGS2ALDH1A1MAPT
SCHEMBL290295 0.79 PTGS2 (0.51) PTGS2ALDH1A1MAPTNPC1KMT2A
SCHEMBL290323 0.78 PTGS2 (0.56) PTGS2ALDH1A1MAPK1MAPTNPC1
SCHEMBL290525 0.76 PDF (0.53) PTGS2ALDH1A1MAPTNPC1KMT2A
SCHEMBL289532 0.76 NPC1 (0.57) PTGS2ALDH1A1MAPK1MAPTNPC1
SCHEMBL290558 0.76 RAB9A (0.45) PTGS2ALDH1A1MAPTNPC1KMT2A
SCHEMBL290149 0.75 PTGS2 (0.44) PTGS2ALDH1A1MAPTNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2959898-A1 4,5-DIOXO-NAPHTHO[1,2-b]FURANS AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2015-12-30 EP disclosed
EP-2427057-B1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN KETTERING INST CANCER (US) 2015-08-12 EP disclosed
US-8614237-B2 Benzofuran-4,5-diones as selective peptide deformylase inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-12-24 US disclosed
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 US disclosed
EP-2427057-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2012-03-14 EP disclosed
WO-2010129049-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-11 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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E SRD5A2 2223/4885IGFBP3 2055/4885PTGS2 2098/4885

“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.