SCHEMBL3351009

SCHEMBL3351009

COC(=O)c1ccc(OC(=O)N2CCc3c(sc(NC(=O)C=Cc4cccnc4)c3C#N)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
STAT3 P40763 5/20 0.47
GRM5 P41594 3/20 0.44
TGFBR1 P36897 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GRM1 Q13255 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
SCHEMBL13166277 1.00 MAPT (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13166265 0.94 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3355093 0.94 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3351584 0.91 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13166108 0.91 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3354670 0.90 STAT3 (0.51) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13166105 0.90 STAT3 (0.51) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13185047 0.89 MAPT (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13166106 0.89 MEN1 (0.55) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3354384 0.89 MEN1 (0.55) MAPTMEN1KMT2AALDH1A1KDM4E

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 MAPT 1150/4885MEN1 4646/4885KMT2A 2220/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD MAPT 1192/4885MEN1 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.