SCHEMBL3422685

SCHEMBL3422685

C[C@@H](CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OCC(O)CO)C2)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 7/20 0.49
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 3/20 0.47
HPGD P15428 3/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ADORA3 P0DMS8 1/20 0.45
PDE4D Q08499 1/20 0.45
GRM1 Q13255 2/20 0.45
MAPK10 P53779 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL3422679 1.00 MEN1 (0.54) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL13339470 0.93 MEN1 (0.56) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3423325 0.91 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3423328 0.91 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3351992 0.91 MEN1 (0.58) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3351998 0.91 MEN1 (0.58) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3419063 0.90 L3MBTL1 (0.62) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3419067 0.90 L3MBTL1 (0.62) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3419107 0.90 MEN1 (0.56) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3419113 0.90 MEN1 (0.56) MEN1KMT2AL3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 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-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-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 MEN1 2714/4885KMT2A 1982/4885L3MBTL1 2646/4885
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNO, CCNY, CCNT1 MEN1 3314/4885KMT2A 779/4885L3MBTL1 2293/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 MEN1 2581/4885KMT2A 660/4885L3MBTL1 1853/4885

“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.