SCHEMBL3347397

SCHEMBL3347397

COc1ccccc1[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OCCOC(C)=O)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
MAPT P10636 8/20 0.51
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 0.45
CASP6 P55212 1/20 0.45
PAX8 Q06710 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 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
SCHEMBL3347393 1.00 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3348150 0.94 L3MBTL1 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3348141 0.94 L3MBTL1 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3349749 0.93 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3349757 0.93 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3350143 0.92 L3MBTL1 (0.59) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3350133 0.92 L3MBTL1 (0.59) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3349035 0.91 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3349043 0.91 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3347771 0.90 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 US claimed
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer PEKARI KLAUS 2009-10-08 US claimed
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer ALTANA PHARMA AG (DE) 2009-04-16 US claimed
EP-1851230-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER Nycomed GmbH (DE) 2007-11-07 EP claimed
WO-2006084904-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-08-17 WO claimed
US-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 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
EP-1851230-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER Nycomed GmbH (DE) 2007-11-07 EP 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 (2 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-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 MEN1 3675/4885KMT2A 1827/4885MAPT 3736/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX MEN1 3685/4885KMT2A 2436/4885MAPT 2223/4885

“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.