SCHEMBL2083544

SCHEMBL2083544

CCC(=O)c1sccc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
KMT2A Q03164 3/20 0.38
PKM P14618 2/20 0.36
ABCC1 P33527 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
GPR35 Q9HC97 1/20 0.33
BCAT2 O15382 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
STAT1 P42224 1/20 0.33

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
SCHEMBL2083788 0.80 MAPK8 (0.41) GSK3BKMT2APKMABCC1ATM
SCHEMBL2080157 0.80 MAPK8 (0.41) GSK3BKMT2APKMABCC1ATM
SCHEMBL1401564 0.78 GPR35 (0.44) KMT2AABCC1GPR35BCAT2AXL
SCHEMBL2199408 0.77 PKM (0.47) KMT2APKMABCC1NPC1RAB9A
SCHEMBL31322640 0.76 BCAT2 (0.52) GSK3BKMT2APKMNPC1RAB9A
SCHEMBL6129997 0.76 GSK3B (0.69) GSK3BKMT2APKMNPC1RAB9A
SCHEMBL4683311 0.76 KMT2A (0.56) KMT2ANPC1RAB9AMAPTKDM4E
SCHEMBL11481217 0.76 GAA (0.41) GSK3BKMT2AATMMAPTKDM4E
SCHEMBL27588311 0.75 MEN1 (0.41) KMT2APKMMAPTKDM4EALDH1A1
SCHEMBL23590200 0.74 GSK3B (0.43) GSK3BKMT2APKMABCC1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854791-B1 NOVEL THIOPHENE COMPOUND AND PROCESS FOR PRODUCING CAFFENOFURAN OR ANALOGUE THEREOF FROM THE SAME SAN EI GEN FFI INC (JP) 2011-07-13 EP disclosed
EP-1854791-B1 NOVEL THIOPHENE COMPOUND AND PROCESS FOR PRODUCING CAFFENOFURAN OR ANALOGUE THEREOF FROM THE SAME SAN EI GEN FFI INC (JP) 2011-07-13 EP disclosed
US-7897790-B2 synthetic intermediate that is useful for efficient production of kahweofuran; flavoring; when thiophene compound is reacted in hydrogen atmosphere using transition metal catalyst, cyclization occurs simultaneously with reduction, to produce a 2,3-dihydrothieno[2,3c]furan skeleton in a single step SAN-EI GEN F.F.I., INC. (JP) 2011-03-01 US disclosed
US-7897790-B2 synthetic intermediate that is useful for efficient production of kahweofuran; flavoring; when thiophene compound is reacted in hydrogen atmosphere using transition metal catalyst, cyclization occurs simultaneously with reduction, to produce a 2,3-dihydrothieno[2,3c]furan skeleton in a single step SAN-EI GEN F.F.I., INC. (JP) 2011-03-01 US disclosed
US-7897790-B2 synthetic intermediate that is useful for efficient production of kahweofuran; flavoring; when thiophene compound is reacted in hydrogen atmosphere using transition metal catalyst, cyclization occurs simultaneously with reduction, to produce a 2,3-dihydrothieno[2,3c]furan skeleton in a single step SAN-EI GEN F.F.I., INC. (JP) 2011-03-01 US disclosed
US-20080167481-A1 Novel Thiophene Compound and Process for Producing Caffenofuran or Analogue Thereof from the Same SAN EI GEN F.F.I., INC. (JP) 2008-07-10 US disclosed
US-20080167481-A1 Novel Thiophene Compound and Process for Producing Caffenofuran or Analogue Thereof from the Same SAN EI GEN F.F.I., INC. (JP) 2008-07-10 US disclosed
US-20080167481-A1 Novel Thiophene Compound and Process for Producing Caffenofuran or Analogue Thereof from the Same SAN EI GEN F.F.I., INC. (JP) 2008-07-10 US disclosed
EP-1854791-A1 NOVEL THIOPHENE COMPOUND AND PROCESS FOR PRODUCING CAFFENOFURAN OR ANALOGUE THEREOF FROM THE SAME SAN-EI GEN F.F.I., INC. (JP) 2007-11-14 EP 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-20080167481-A1 Novel Thiophene Compound and Process for Producing Caffenofuran or Analogue Thereof from the Same CYP4F3, CBR3, GTF3C4 GSK3B 4881/4885KMT2A 1406/4885PKM 1977/4885

“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.