SCHEMBL4633874

SCHEMBL4633874

CCOC(=O)c1sc2ccccc2c1OCCOc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 3/20 0.56
NOD2 Q9HC29 1/20 0.54
MAPT P10636 6/20 0.51
GAA P10253 2/20 0.51
CXCR2 P25025 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MMP3 P08254 1/20 0.44
BRAF P15056 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TP53 P04637 2/20 0.43
ELANE P08246 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 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
SCHEMBL4633857 0.89 KMT2A (0.66) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4632917 0.87 KMT2A (0.56) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4634446 0.87 ALDH1A1 (0.58) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4633845 0.85 KMT2A (0.65) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4633871 0.85 CXCR2 (0.56) ALDH1A1LMNAMAPTCXCR2MMP3
SCHEMBL4633952 0.85 CXCR2 (0.44) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4635068 0.81 LMNA (0.51) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL1382397 0.80 LMNA (0.53) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL1381986 0.79 MAPT (0.69) ALDH1A1KMT2ALMNANOD2MAPT
SCHEMBL4634058 0.79 MAPT (0.59) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.