SCHEMBL290316

SCHEMBL290316

O=C(c1ccc2c(c1)CCO2)c1coc2c(Cl)c(Cl)c(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PRKCI P41743 1/20 0.41
SIRT1 Q96EB6 1/20 0.39
ERN1 O75460 1/20 0.39
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
FABP4 P15090 4/20 0.37
GPR183 P32249 1/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FABP3 P05413 1/20 0.36
FABP5 Q01469 1/20 0.36
CREBBP Q92793 1/20 0.36
CTNNB1 P35222 1/20 0.35

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
SCHEMBL289146 0.84 RAB9A (0.45) PTGS2RAB9ANPC1PRKCISIRT1
SCHEMBL289564 0.78 PTGS2 (0.54) PTGS2RAB9ANPC1SIRT1MAPT
SCHEMBL289170 0.78 PTGS2 (0.71) PTGS2RAB9ANPC1SIRT1MAPT
SCHEMBL290348 0.77 PTGS2 (0.59) PTGS2RAB9ANPC1SIRT1MAPT
SCHEMBL290614 0.76 PDF (0.53) PTGS2NPC1SIRT1MAPTCREBBP
SCHEMBL290273 0.76 PTGS2 (0.64) PTGS2RAB9ANPC1SIRT1MAPT
SCHEMBL11022359 0.73 PRKCI (0.66) RAB9ANPC1PRKCIERN1TAS1R3
SCHEMBL289724 0.73 NPC1 (0.57) PTGS2RAB9ANPC1SIRT1MAPT
SCHEMBL290349 0.72 PTGS2 (0.49) PTGS2RAB9ANPC1SIRT1MAPT
SCHEMBL299187 0.71 PTGS2 (0.44) PTGS2RAB9ANPC1MAPTCTNNB1

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 2098/4885RAB9A 3434/4885NPC1 1866/4885

“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.