SCHEMBL2961985

SCHEMBL2961985

CCOc1c(CCC(=O)Nc2sc3c(c2C#N)CCNC3)cccc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
POLB P06746 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2957081 0.93 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL2969424 0.90 MAPT (0.48) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL2895838 0.89 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL2896328 0.89 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL2971026 0.88 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL2969268 0.88 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL2969255 0.88 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL2968668 0.85 POLB (0.48) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL2968663 0.85 POLB (0.48) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL2969493 0.84 ALDH1A1 (0.48) ALDH1A1POLBSMN1; SMN2MAPTLMNA

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 10 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-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer PEKARI KLAUS 2009-10-08 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 (4 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 ALDH1A1 632/4885POLB 2460/4885SMN1; SMN2 3283/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 ALDH1A1 1497/4885POLB 579/4885SMN1; SMN2 4845/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 ALDH1A1 615/4885POLB 2674/4885SMN1; SMN2 3422/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX ALDH1A1 576/4885POLB 1418/4885SMN1; 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.