SCHEMBL3419996

SCHEMBL3419996

CCOC(=O)N1CCc2c(sc(NC(=O)CCC3CCCO3)c2C#N)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ ALDH1A1 P00352 10/20 0.54
▸ MAPT P10636 5/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ TSHR P16473 4/20 0.54
▸ TP53 P04637 3/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ POLB P06746 2/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ HPGD P15428 2/20 0.47

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
SCHEMBL3419893 0.87 L3MBTL1 (0.64) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3419021 0.80 L3MBTL1 (1.00) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3419009 0.79 L3MBTL1 (0.63) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3423062 0.79 L3MBTL1 (0.62) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3423354 0.79 L3MBTL1 (0.65) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3423451 0.78 L3MBTL1 (0.67) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3423360 0.78 MEN1 (0.66) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3422079 0.77 L3MBTL1 (0.63) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3419119 0.77 L3MBTL1 (0.63) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3420853 0.77 MEN1 (0.67) L3MBTL1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 — — US claimed
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 — — US claimed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 — — US claimed
EP-1851229-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER Nycomed GmbH (DE) 2007-11-07 — — EP claimed
WO-2006084869-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER NYCOMED GMBH (DE) 2006-08-17 — — WO claimed
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 — — US disclosed
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 — — US disclosed
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 — — US disclosed
US-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 — — US disclosed
US-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 — — US disclosed
US-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 — — US disclosed
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 — — US disclosed
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 — — US disclosed
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 — — US disclosed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 — — US disclosed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 — — US disclosed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 — — US disclosed
EP-1851229-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER Nycomed GmbH (DE) 2007-11-07 — — EP disclosed
WO-2006084869-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER NYCOMED GMBH (DE) 2006-08-17 — — 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 (3 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-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer MKI67, CCNT1, RB1 L3MBTL1 2646/4885ALDH1A1 546/4885MAPT 884/4885
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNO, CCNY, CCNT1 L3MBTL1 2293/4885ALDH1A1 1514/4885MAPT 3559/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 L3MBTL1 1853/4885ALDH1A1 467/4885MAPT 3705/4885

“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.

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