SCHEMBL2887690

SCHEMBL2887690

C[C@@H](CC(=O)Nc1sc2c(c1C#N)CCNC2)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK10 P53779 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
ESR2 Q92731 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2887687 1.00 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL3422983 0.90 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL3422988 0.90 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL3420630 0.90 RAB9A (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL3420625 0.90 RAB9A (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL2892816 0.89 MAPT (0.50) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL3421574 0.89 LMNA (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL3421573 0.89 LMNA (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL3422162 0.89 RAB9A (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL2892812 0.89 MAPT (0.50) ALDH1A1RAB9ASMN1; SMN2HPGDMEN1

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 12 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 disclosed
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 US disclosed
US-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US disclosed
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 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-1896484-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-12 EP disclosed
EP-1851229-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER Nycomed GmbH (DE) 2007-11-07 EP disclosed
WO-2006125813-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO 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 (6 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-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 ALDH1A1 566/4885RAB9A 1416/4885SMN1; SMN2 3195/4885
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer MKI67, CCNT1, RB1 ALDH1A1 546/4885RAB9A 1361/4885SMN1; SMN2 2960/4885
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNO, CCNY, CCNT1 ALDH1A1 1514/4885RAB9A 908/4885SMN1; SMN2 4393/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 ALDH1A1 467/4885RAB9A 1252/4885SMN1; SMN2 4289/4885
US-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 ALDH1A1 615/4885RAB9A 1221/4885SMN1; SMN2 3422/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 ALDH1A1 632/4885RAB9A 1361/4885SMN1; SMN2 3283/4885

“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.