SCHEMBL13166203

SCHEMBL13166203

CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3cc(OC)ccc3OC)c2C#N)C1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.70
MAPT P10636 16/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 3/20 0.52
THRB P10828 1/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.49
STAT3 P40763 1/20 0.48

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
SCHEMBL3350480 1.00 TGFBR1 (0.70) TGFBR1MAPTALDH1A1MEN1KMT2A
SCHEMBL3353495 0.92 TGFBR1 (0.58) TGFBR1MAPTALDH1A1MEN1KMT2A
SCHEMBL13166219 0.92 TGFBR1 (0.58) TGFBR1MAPTALDH1A1MEN1KMT2A
SCHEMBL4617947 0.91 TGFBR1 (0.74) TGFBR1MAPTALDH1A1MEN1KMT2A
SCHEMBL13166155 0.90 TGFBR1 (0.56) TGFBR1MAPTALDH1A1MEN1KMT2A
SCHEMBL3572828 0.90 TGFBR1 (0.56) TGFBR1MAPTALDH1A1MEN1KMT2A
SCHEMBL3349925 0.90 TGFBR1 (0.55) TGFBR1MAPTALDH1A1MEN1KMT2A
SCHEMBL13166083 0.90 TGFBR1 (0.55) TGFBR1MAPTALDH1A1MEN1KMT2A
SCHEMBL3572132 0.88 MAPT (0.54) TGFBR1MAPTALDH1A1MEN1KMT2A
SCHEMBL13166091 0.88 MAPT (0.54) TGFBR1MAPTALDH1A1MEN1KMT2A

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 6 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-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

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.