SCHEMBL3358429

SCHEMBL3358429

COCCC(=O)N1CCc2c(sc(NC(=O)C=Cc3ccccc3OC)c2C#N)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.53
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
MAPK10 P53779 2/20 0.48
MAPK9 P45984 1/20 0.48
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
STAT3 P40763 3/20 0.45
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GRM1 Q13255 1/20 0.43

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
SCHEMBL3358423 1.00 TGFBR1 (0.53) TGFBR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3352390 0.93 MEN1 (0.47) TGFBR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3352397 0.93 MEN1 (0.47) TGFBR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3357365 0.92 TGFBR1 (0.55) TGFBR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3357379 0.92 TGFBR1 (0.55) TGFBR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3350647 0.92 TGFBR1 (0.51) TGFBR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3350650 0.92 TGFBR1 (0.51) TGFBR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3356995 0.90 TGFBR1 (0.53) TGFBR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL13166256 0.90 TGFBR1 (0.53) TGFBR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3352218 0.89 MEN1 (0.53) TGFBR1ALDH1A1MAPTSMN1; SMN2MEN1

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 7 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-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 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

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 TGFBR1 1266/4885ALDH1A1 686/4885MAPT 1150/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD TGFBR1 1294/4885ALDH1A1 683/4885MAPT 1192/4885

“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.