SCHEMBL2955673

SCHEMBL2955673

COc1ccc(OC)c(C(C)CC(=O)Nc2sc3c(c2C#N)CCNC3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
POLB P06746 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TGFBR1 P36897 2/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
NT5E P21589 1/20 0.42
PLA2G1B P04054 1/20 0.41
HPGD P15428 1/20 0.41
ATG4B Q9Y4P1 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
SCHEMBL2955676 1.00 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2TGFBR1MGAM
SCHEMBL2971678 0.94 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2TGFBR1MGAM
SCHEMBL2971684 0.94 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2TGFBR1MGAM
SCHEMBL2968605 0.92 POLB (0.46) ALDH1A1POLBSMN1; SMN2L3MBTL1MAPT
SCHEMBL2968602 0.92 POLB (0.46) ALDH1A1POLBSMN1; SMN2L3MBTL1MAPT
SCHEMBL2969055 0.92 MAPT (0.49) ALDH1A1POLBSMN1; SMN2TGFBR1MGAM
SCHEMBL2971754 0.92 MAPT (0.49) ALDH1A1POLBSMN1; SMN2TGFBR1MGAM
SCHEMBL2967520 0.91 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2TGFBR1MGAM
SCHEMBL2967524 0.91 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2TGFBR1MGAM
SCHEMBL2891412 0.90 MEN1 (0.52) ALDH1A1POLBSMN1; SMN2L3MBTL1MAPT

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.