SCHEMBL3351666

SCHEMBL3351666

CCOC(=O)CC(=O)N1CCc2c(sc(NC(=O)C=Cc3ccccc3)c2C#N)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
GAA P10253 3/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
TGFBR1 P36897 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK10 P53779 1/20 0.49
GRM1 Q13255 3/20 0.48
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CRHBP P24387 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
SCHEMBL13166296 1.00 MEN1 (0.53) MEN1KMT2AGAAPOLBL3MBTL1
SCHEMBL3353182 0.92 L3MBTL1 (0.59) MEN1KMT2AGAAPOLBL3MBTL1
SCHEMBL13166028 0.92 L3MBTL1 (0.59) MEN1KMT2AGAAPOLBL3MBTL1
SCHEMBL3353184 0.92 L3MBTL1 (0.59) MEN1KMT2AGAAPOLBL3MBTL1
SCHEMBL4619349 0.90 MEN1 (0.58) MEN1KMT2AGAAPOLBL3MBTL1
SCHEMBL3357555 0.89 MEN1 (0.56) MEN1KMT2AGAAPOLBL3MBTL1
SCHEMBL3357550 0.89 MEN1 (0.56) MEN1KMT2AGAAPOLBL3MBTL1
SCHEMBL3352218 0.88 MEN1 (0.53) MEN1KMT2AGAAPOLBL3MBTL1
SCHEMBL3352208 0.88 MEN1 (0.53) MEN1KMT2AGAAPOLBL3MBTL1
SCHEMBL13166294 0.88 MEN1 (0.55) MEN1KMT2AGAAPOLBL3MBTL1

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-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

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 MEN1 4646/4885KMT2A 2220/4885GAA 4376/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD MEN1 4610/4885KMT2A 2358/4885GAA 4265/4885

“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.