SCHEMBL290733

SCHEMBL290733

O=C(c1ccc(OCc2nccs2)cc1)c1coc2c(Br)c(Br)c(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PTGS2 P35354 1/20 0.39
PTGES O14684 1/20 0.38
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
MAPT P10636 5/20 0.37
NPC1 O15118 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ACACB O00763 1/20 0.36
BTK Q06187 1/20 0.34
RECQL P46063 3/20 0.34
TP53 P04637 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL290191 0.79 KMT2A (0.54) PTGS2PTGESMAPTNPC1SMN1; SMN2
SCHEMBL290798 0.78 MAPT (0.43) PTGS2PTGESMAPTNPC1SMN1; SMN2
SCHEMBL289532 0.77 NPC1 (0.57) PTGS2MAPTNPC1SMN1; SMN2KMT2A
SCHEMBL290225 0.74 PTGS2 (0.52) PTGS2MAPTNPC1SMN1; SMN2CASP3
SCHEMBL299437 0.74 PDF (0.61) CYSLTR2CYSLTR1MMP9MMP13ADAM17
SCHEMBL289809 0.73 PTGS2 (0.68) PTGS2MAPTNPC1SMN1; SMN2CASP3
SCHEMBL290295 0.73 PTGS2 (0.51) PTGS2MAPTNPC1SMN1; SMN2CASP3
SCHEMBL290323 0.73 PTGS2 (0.56) PTGS2MAPTNPC1SMN1; SMN2CASP3
SCHEMBL290149 0.72 PTGS2 (0.44) PTGS2MAPTNPC1SMN1; SMN2CASP3
SCHEMBL16994985 0.72 PDF (0.50) CYSLTR2CYSLTR1MMP9MMP13ADAM17

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 CYSLTR2 4510/4885CYSLTR1 4272/4885PTGS2 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.