SCHEMBL13166121

SCHEMBL13166121

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.53
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.45
STAT3 P40763 2/20 0.43
GRM1 Q13255 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM5 P41594 1/20 0.43
MAPK10 P53779 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
SCHEMBL3348118 1.00 TGFBR1 (0.53) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL3575416 0.93 MEN1 (0.48) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL3349925 0.89 TGFBR1 (0.55) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL13166083 0.89 TGFBR1 (0.55) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL13166117 0.89 MEN1 (0.52) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL3350438 0.89 MEN1 (0.52) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL4603914 0.89 TGFBR1 (0.58) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL3357379 0.87 TGFBR1 (0.55) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL3357365 0.87 TGFBR1 (0.55) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL4603107 0.87 TGFBR1 (0.56) TGFBR1MEN1KMT2APOLBGAA

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 1266/4885MEN1 4646/4885KMT2A 2220/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD TGFBR1 1294/4885MEN1 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.