SCHEMBL2083549

SCHEMBL2083549

CC(=O)c1sccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
PRNP P04156 1/20 0.38
PPARG P37231 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
CYP2A6 P11509 1/20 0.37
POLB P06746 2/20 0.37
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 1/20 0.36
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 2/20 0.35
AXL P30530 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
SCHEMBL1493596 0.81 PTPN2 (0.44) ALDH1A1KMT2ANPSR1CYP2A6KDM4E
SCHEMBL15651775 0.79 BCAT2 (0.47) ALDH1A1KMT2AMAPK8MAPK10CYP2A6
SCHEMBL5187882 0.79 KMT2A (0.51) ALDH1A1KMT2ANPSR1MAPK10POLB
SCHEMBL2187456 0.74 ALDH1A1 (0.59) ALDH1A1HTTKMT2APPARGNCOR2
SCHEMBL2652907 0.74 ALDH1A1 (0.47) ALDH1A1KMT2ANPSR1RXFP1MAPK8
SCHEMBL4418474 0.73 CYP2A6 (0.36) KMT2ACYP2A6TRIM24TRIM33ERN1
SCHEMBL3783766 0.72 PRNP (0.39) ALDH1A1HTTKMT2APRNPPPARG
SCHEMBL2928256 0.71
SCHEMBL4556834 0.71 PRNP (0.45) ALDH1A1HTTKMT2APRNPPPARG
SCHEMBL10442 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3023420-A1 Methods for providing stable isoindole derivatives Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2016-05-25 EP claimed
US-20160137601-A1 METHOD FOR PROVIDING STABLE ISOINDOLE DERIVATIVES FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V (DE) 2016-05-19 US claimed
EP-3023420-A1 Methods for providing stable isoindole derivatives Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2016-05-25 EP disclosed
US-20160137601-A1 METHOD FOR PROVIDING STABLE ISOINDOLE DERIVATIVES FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V (DE) 2016-05-19 US disclosed
US-20130023171-A1 Composition and Method For Improving Adhesion of Textile Substrates to Rubber and Articles Resulting Therefrom BROWN HAROLD M (US) 2013-01-24 US 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 (2 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-20160137601-A1 METHOD FOR PROVIDING STABLE ISOINDOLE DERIVATIVES DYNC1I2, FKBP8, FKBP5 ALDH1A1 2155/4885HTT 59/4885KMT2A 2731/4885
US-20080167481-A1 Novel Thiophene Compound and Process for Producing Caffenofuran or Analogue Thereof from the Same CYP4F3, CBR3, GTF3C4 ALDH1A1 295/4885HTT 2408/4885KMT2A 1406/4885

“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.