SCHEMBL2968668

SCHEMBL2968668

CCOc1c(OC)cccc1[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCNC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
NPC1 O15118 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 3/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL2968663 1.00 POLB (0.48) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2957203 0.94 ALDH1A1 (0.51) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2957200 0.94 ALDH1A1 (0.51) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2891412 0.91 MEN1 (0.52) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2891410 0.91 MEN1 (0.52) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2966465 0.90 MAPT (0.47) POLBALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL2966462 0.90 MAPT (0.47) POLBALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL2969169 0.90 POLB (0.50) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2969166 0.90 POLB (0.50) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2891267 0.89 NPC1 (0.44) POLBALDH1A1SMN1; SMN2MAPTNPC1

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-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer ALTANA PHARMA AG (DE) 2009-04-16 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US disclosed
EP-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 EP disclosed
EP-1851230-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER Nycomed GmbH (DE) 2007-11-07 EP disclosed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO disclosed
WO-2006084904-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 POLB 2460/4885ALDH1A1 632/4885SMN1; SMN2 3283/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 POLB 2674/4885ALDH1A1 615/4885SMN1; SMN2 3422/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX POLB 1418/4885ALDH1A1 576/4885SMN1; SMN2 2882/4885

“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.