SCHEMBL299691

SCHEMBL299691

COc1c(F)cc(C(=O)c2coc3c(Br)c(Br)c(O)cc23)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
PDF Q9HBH1 2/20 0.38
MAPT P10636 3/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CREBBP Q92793 1/20 0.35
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SIRT1 Q96EB6 3/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
TPMT P51580 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL801290 0.87 PDF (0.52) PDFMAPTSMN1; SMN2TUBB1
SCHEMBL289532 0.81 NPC1 (0.57) PTGS2PDFMAPTNPC1SMN1; SMN2
SCHEMBL290295 0.79 PTGS2 (0.51) PTGS2MAPTNPC1SMN1; SMN2CREBBP
SCHEMBL290525 0.79 PDF (0.53) PTGS2PDFMAPTNPC1SMN1; SMN2
SCHEMBL16994940 0.77 PDF (0.49) PDFMAPTSMN1; SMN2TUBB1
SCHEMBL290323 0.76 PTGS2 (0.56) PTGS2MAPTNPC1SMN1; SMN2CREBBP
SCHEMBL290225 0.75 PTGS2 (0.52) PTGS2MAPTNPC1SMN1; SMN2CREBBP
SCHEMBL289809 0.74 PTGS2 (0.68) PTGS2MAPTNPC1SMN1; SMN2CREBBP
SCHEMBL290558 0.73 RAB9A (0.45) PTGS2MAPTNPC1CREBBPRAB9A
SCHEMBL290798 0.73 MAPT (0.43) PTGS2PDFMAPTNPC1SMN1; SMN2

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 PTGS2 2098/4885PDF 1/4885MAPT 3128/4885

“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.