SCHEMBL2083548

SCHEMBL2083548

CCC(=O)c1ccsc1COC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSP90AB1 P08238 1/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PTK2 Q05397 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
PKM P14618 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 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
SCHEMBL2082321 0.85 ALDH1A1 (0.43) ALDH1A1HTTPTK2KDM4EMEN1
SCHEMBL2081679 0.81 HSP90AB1 (0.39) ALDH1A1HSP90AB1PTK2KDM4EMEN1
SCHEMBL2242512 0.76 ALOX5 (0.47) ALDH1A1LMNAKDM4EPKMCYP1A2
SCHEMBL27658739 0.75 ALDH1A1 (0.43) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL27658638 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EPKMCYP1A2CYP2C19
SCHEMBL2084620 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2ACYP1A2CYP2C19
SCHEMBL11861987 0.73 MEN1 (0.39) ALDH1A1HSP90AB1PTK2MEN1KMT2A
SCHEMBL2080168 0.72 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EKMT2APKM
SCHEMBL9947034 0.70 ALDH1A1 (0.50) ALDH1A1HSP90AB1LMNAKDM4ECYP1A2
SCHEMBL28774130 0.68 HSP90AB1 (0.40) ALDH1A1HSP90AB1PTK2KDM4EMEN1

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 10 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
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 ALDH1A1 295/4885HSP90AB1 3509/4885LMNA 4842/4885

“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.