SCHEMBL13166256

SCHEMBL13166256

COCCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3OC)c2C#N)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.53
MAPT P10636 7/20 0.49
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 3/20 0.48
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
STAT3 P40763 3/20 0.44
MAPK10 P53779 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
SCHEMBL3356995 1.00 TGFBR1 (0.53) TGFBR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL13166365 0.93 MAPT (0.50) TGFBR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3352900 0.93 MAPT (0.50) TGFBR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL13166083 0.93 TGFBR1 (0.55) TGFBR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3349925 0.93 TGFBR1 (0.55) TGFBR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL13166263 0.92 MEN1 (0.51) TGFBR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3352274 0.92 MEN1 (0.51) TGFBR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3354540 0.90 TGFBR1 (0.48) TGFBR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL13166257 0.90 TGFBR1 (0.48) TGFBR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3358423 0.90 TGFBR1 (0.53) TGFBR1MAPTALDH1A1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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

“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.