SCHEMBL13166138

SCHEMBL13166138

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 4/20 0.56
MAPT P10636 10/20 0.55
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
TGFBR1 P36897 3/20 0.52
THRB P10828 1/20 0.52
POLB P06746 1/20 0.47

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
SCHEMBL3354959 1.00 L3MBTL1 (0.56) L3MBTL1TP53MAPTMEN1KMT2A
SCHEMBL13166071 0.93 MAPT (0.59) L3MBTL1TP53MAPTMEN1KMT2A
SCHEMBL3354342 0.93 MAPT (0.59) L3MBTL1TP53MAPTMEN1KMT2A
SCHEMBL4605058 0.92 TGFBR1 (0.53) L3MBTL1TP53MAPTMEN1KMT2A
SCHEMBL3357495 0.92 L3MBTL1 (0.61) L3MBTL1TP53MAPTMEN1KMT2A
SCHEMBL13166088 0.92 L3MBTL1 (0.61) L3MBTL1TP53MAPTMEN1KMT2A
SCHEMBL13166191 0.92 TGFBR1 (0.64) L3MBTL1TP53MAPTMEN1KMT2A
SCHEMBL3352445 0.92 TGFBR1 (0.64) L3MBTL1TP53MAPTMEN1KMT2A
SCHEMBL3356950 0.91 L3MBTL1 (0.57) L3MBTL1TP53MAPTMEN1KMT2A
SCHEMBL3352868 0.91 L3MBTL1 (0.57) L3MBTL1TP53MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 L3MBTL1 2029/4885TP53 60/4885MAPT 1150/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD L3MBTL1 2161/4885TP53 40/4885MAPT 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.