SCHEMBL3928773

SCHEMBL3928773

CC(C)(C)OC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)OCC4)c2C#N)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
MAPT P10636 8/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
KDM4E B2RXH2 4/20 0.66
LMNA P02545 3/20 0.66
NPSR1 Q6W5P4 3/20 0.66
HSD17B10 Q99714 2/20 0.66
HPGD P15428 2/20 0.66
RXFP1 Q9HBX9 1/20 0.66
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
GRM5 P41594 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MITF O75030 1/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL3922311 0.90 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL14217539 0.86 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL3421633 0.83 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL3419640 0.82 MAPT (0.79) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL3423870 0.81 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL3921486 0.79 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL28453179 0.78 STAT3 (0.68) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL13739786 0.78 MEN1 (0.55) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL3929125 0.76 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2643572 0.76 MEN1 (0.56) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA

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-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 US disclosed
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 US disclosed
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 US disclosed
US-7517986-B2 Tetrahydropyridothiophenes for use in the treatment of cancer 4SC AG (DE) 2009-04-14 US disclosed
US-7517986-B2 Tetrahydropyridothiophenes for use in the treatment of cancer 4SC AG (DE) 2009-04-14 US disclosed
US-7517986-B2 Tetrahydropyridothiophenes for use in the treatment of cancer 4SC AG (DE) 2009-04-14 US disclosed
EP-1756118-B1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2008-05-28 EP disclosed
EP-1756118-B1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2008-05-28 EP disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US 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-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer BCL2, BAX, MCL1 ALDH1A1 297/4885MAPT 1411/4885SMN1; SMN2 2927/4885
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer BCL2, BAX, MCL1 ALDH1A1 317/4885MAPT 1402/4885SMN1; SMN2 2750/4885

“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.