SCHEMBL13166191

SCHEMBL13166191

CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccc(O)cc3)c2C#N)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 10/20 0.57
KMT2A Q03164 10/20 0.57
ALDH1A1 P00352 8/20 0.57
MAPT P10636 6/20 0.57
HSD17B10 Q99714 2/20 0.57
TP53 P04637 2/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
TSHR P16473 1/20 0.57
GAA P10253 3/20 0.55
KDM4E B2RXH2 3/20 0.55
POLB P06746 3/20 0.49
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
USP2 O75604 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL3352445 1.00 TGFBR1 (0.64) TGFBR1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3357495 0.94 L3MBTL1 (0.61) TGFBR1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL13166088 0.94 L3MBTL1 (0.61) TGFBR1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3352868 0.92 L3MBTL1 (0.57) TGFBR1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL13166076 0.92 L3MBTL1 (0.57) TGFBR1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3356950 0.92 L3MBTL1 (0.57) TGFBR1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL13166081 0.92 L3MBTL1 (0.57) TGFBR1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL13166028 0.92 L3MBTL1 (0.59) TGFBR1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3353182 0.92 L3MBTL1 (0.59) TGFBR1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3353184 0.92 L3MBTL1 (0.59) TGFBR1L3MBTL1MEN1KMT2AALDH1A1

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 1266/4885L3MBTL1 2029/4885MEN1 4646/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD TGFBR1 1294/4885L3MBTL1 2161/4885MEN1 4610/4885

“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.