SCHEMBL3355172

SCHEMBL3355172

CCOc1ccccc1C=CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)CCc1ccccn1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.45
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPK10 P53779 2/20 0.43
MAPK9 P45984 1/20 0.43
TGFBR1 P36897 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3355165 1.00 STAT3 (0.46) STAT3PTGDR2MEN1KMT2APOLB
SCHEMBL3353085 0.93 STAT3 (0.47) STAT3PTGDR2MEN1KMT2APOLB
SCHEMBL3353075 0.93 STAT3 (0.47) STAT3PTGDR2MEN1KMT2APOLB
SCHEMBL3352538 0.90 L3MBTL1 (0.46) STAT3MEN1KMT2APOLBGAA
SCHEMBL13336320 0.90 L3MBTL1 (0.46) STAT3MEN1KMT2APOLBGAA
SCHEMBL3351871 0.90 MEN1 (0.52) MEN1KMT2APOLBGAAMAPK10
SCHEMBL3351864 0.90 MEN1 (0.52) MEN1KMT2APOLBGAAMAPK10
SCHEMBL3350714 0.90 MEN1 (0.49) STAT3MEN1KMT2APOLBGAA
SCHEMBL3350708 0.90 MEN1 (0.49) STAT3MEN1KMT2APOLBGAA
SCHEMBL3563609 0.90 STAT3 (0.44) STAT3MEN1KMT2APOLBGAA

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 9 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-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 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
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US 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 (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 STAT3 251/4885PTGDR2 1774/4885MEN1 4646/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD STAT3 359/4885PTGDR2 1635/4885MEN1 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.