SCHEMBL2083349

SCHEMBL2083349

CC(=O)c1sccc1C(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
ALDH1A1 P00352 3/20 0.35
GSK3B P49841 1/20 0.35
GAA P10253 2/20 0.35
ALOX5 P09917 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
AXL P30530 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 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
SCHEMBL12225720 0.84 AXL (0.44) KMT2ANPSR1ALDH1A1GSK3BGAA
SCHEMBL2082605 0.81 GSK3B (0.41) KMT2AALDH1A1GSK3BGAAALOX5
SCHEMBL2084839 0.79 KMT2A (0.42) KMT2APRNPPPARGNPSR1RXFP1
SCHEMBL8628975 0.79 KMT2A (0.54) KMT2ANPSR1MAPK10ALDH1A1GAA
SCHEMBL10682496 0.78 PRNP (0.40) KMT2APRNPPPARGNPSR1RXFP1
SCHEMBL16807891 0.77 TYR (0.44) PRNPPPARGNPSR1RXFP1NCOR2
SCHEMBL2084620 0.72 ALDH1A1 (0.40) KMT2AMAPK8MAPK10ALDH1A1ALOX5
SCHEMBL2928256 0.70
SCHEMBL4556834 0.70 PRNP (0.45) KMT2APRNPPPARGNPSR1RXFP1
SCHEMBL10442 0.70

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 8 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
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 KMT2A 1406/4885PRNP 3662/4885PPARG 1451/4885

“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.