SCHEMBL1385589

SCHEMBL1385589

CCOC(=O)c1sc2ccccc2c1OCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 4/20 0.58
NOD2 Q9HC29 1/20 0.58
LMNA P02545 4/20 0.57
MAPT P10636 9/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SENP5 Q96HI0 1/20 0.46
SENP2 Q9HC62 1/20 0.46
SENP1 Q9P0U3 1/20 0.46
HPGD P15428 3/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44

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
SCHEMBL4634448 0.87 KMT2A (0.73) ALDH1A1KMT2ANOD2LMNAMAPT
SCHEMBL4635064 0.87 ALDH1A1 (0.72) ALDH1A1KMT2ANOD2LMNAMAPT
SCHEMBL4633865 0.86 LMNA (0.59) ALDH1A1KMT2ANOD2LMNAMAPT
SCHEMBL4634440 0.85 SENP5 (0.52) ALDH1A1KMT2ALMNAMAPTSENP5
SCHEMBL4667233 0.85 ALDH1A1 (0.46) ALDH1A1KMT2ANOD2LMNAMAPT
SCHEMBL4634481 0.85 ALDH1A1 (0.60) ALDH1A1KMT2ANOD2LMNAMAPT
SCHEMBL4633553 0.85 ALDH1A1 (0.60) ALDH1A1KMT2ANOD2LMNAMAPT
SCHEMBL4634493 0.85 ALDH1A1 (0.63) ALDH1A1KMT2ANOD2LMNAMAPT
SCHEMBL14159254 0.84 SENP2 (0.51) ALDH1A1KMT2ANOD2MAPTSENP5
SCHEMBL4605223 0.84 SENP5 (0.50) ALDH1A1KMT2ALMNAMAPTSENP5

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 3455/4885NOD2 1941/4885

“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.