SCHEMBL3572828

SCHEMBL3572828

CCOC(=O)N1CCc2c(sc(NC(=O)C=Cc3ccc(OC)cc3F)c2C#N)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 10/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GRM5 P41594 2/20 0.49
GAA P10253 1/20 0.49
GRM1 Q13255 1/20 0.48
STAT3 P40763 1/20 0.47
THRB P10828 1/20 0.47
USP30 Q70CQ3 1/20 0.46

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
SCHEMBL13166155 1.00 TGFBR1 (0.56) TGFBR1L3MBTL1MAPTMEN1KMT2A
SCHEMBL4603144 0.91 TGFBR1 (0.59) TGFBR1MAPTMEN1KMT2AALDH1A1
SCHEMBL13166134 0.90 L3MBTL1 (0.55) TGFBR1L3MBTL1MAPTMEN1KMT2A
SCHEMBL3353954 0.90 L3MBTL1 (0.55) TGFBR1L3MBTL1MAPTMEN1KMT2A
SCHEMBL13166203 0.90 TGFBR1 (0.70) TGFBR1L3MBTL1MAPTMEN1KMT2A
SCHEMBL3350480 0.90 TGFBR1 (0.70) TGFBR1L3MBTL1MAPTMEN1KMT2A
SCHEMBL13184974 0.88 MAPT (0.50) MAPTALDH1A1KDM4ELMNATP53
SCHEMBL3357613 0.88 L3MBTL1 (0.57) TGFBR1L3MBTL1MAPTMEN1KMT2A
SCHEMBL13166075 0.88 L3MBTL1 (0.57) TGFBR1L3MBTL1MAPTMEN1KMT2A
SCHEMBL3354342 0.87 MAPT (0.59) TGFBR1L3MBTL1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US claimed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP claimed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 WO 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 (1 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 2029/4885MAPT 1150/4885

“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.