SCHEMBL1382896

SCHEMBL1382896

CCOC(=O)c1sc2ccccc2c1OC(C)C(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
KMT2A Q03164 4/20 0.69
LMNA P02545 3/20 0.69
NOD2 Q9HC29 1/20 0.60
MAPT P10636 10/20 0.54
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 4/20 0.49
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
GABRP O00591 1/20 0.42

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
SCHEMBL4632959 0.85 EDNRA (0.47) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4604930 0.84 MAOB (0.47) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4634023 0.82 KMT2A (0.51) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4635064 0.79 ALDH1A1 (0.72) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4633875 0.76 ALDH1A1 (0.67) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4633857 0.75 KMT2A (0.66) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4633550 0.74 LMNA (0.55) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL9025206 0.74 ALDH1A1 (0.64) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL29513035 0.74 ALDH1A1 (0.64) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4633845 0.74 KMT2A (0.65) ALDH1A1KMT2ALMNANOD2MAPT

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
JP-4786545-B2 2011-10-05 JP claimed
EP-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP claimed
US-7375130-B2 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-05-20 US claimed
US-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GMBH (DE) 2007-04-05 US claimed
EP-1685121-A1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES MERCK PATENT GmbH (DE) 2006-08-02 EP claimed
WO-2005054225-A1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2005-06-16 WO claimed
EP-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP disclosed
US-7375130-B2 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-05-20 US disclosed
US-7375130-B2 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-05-20 US disclosed
US-7375130-B2 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-05-20 US disclosed
US-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GMBH (DE) 2007-04-05 US disclosed
US-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GMBH (DE) 2007-04-05 US disclosed
US-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GMBH (DE) 2007-04-05 US 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-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives GPR119, INSR, GLP1R ALDH1A1 668/4885KMT2A 3455/4885LMNA 3220/4885

“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.