SCHEMBL3356974

SCHEMBL3356974

COCCOCC(=O)N1CCc2c(sc(NC(=O)/C=C/c3cccnc3)c2C#N)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
MAPK10 P53779 2/20 0.44
GRM1 Q13255 2/20 0.43
TGFBR1 P36897 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 1/20 0.41
MAPK9 P45984 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3356991 1.00 STAT3 (0.46) STAT3MEN1KMT2AMAPTALDH1A1
SCHEMBL3355083 0.93 STAT3 (0.47) STAT3MEN1KMT2AMAPTALDH1A1
SCHEMBL3355070 0.93 STAT3 (0.47) STAT3MEN1KMT2AMAPTALDH1A1
SCHEMBL3353476 0.92 STAT3 (0.48) STAT3MEN1KMT2AMAPTALDH1A1
SCHEMBL3353488 0.92 STAT3 (0.48) STAT3MEN1KMT2AMAPTALDH1A1
SCHEMBL3348999 0.91 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3348988 0.91 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3352487 0.90 STAT3 (0.47) STAT3MEN1KMT2AMAPTALDH1A1
SCHEMBL13166292 0.90 STAT3 (0.47) STAT3MEN1KMT2AMAPTALDH1A1
SCHEMBL3354670 0.87 STAT3 (0.51) STAT3MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US claimed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP claimed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 WO 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-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 STAT3 251/4885MEN1 4646/4885KMT2A 2220/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD STAT3 359/4885MEN1 4610/4885KMT2A 2358/4885

“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.