SCHEMBL3921486

SCHEMBL3921486

CC(C)(C)OC(=O)N1CCc2c(sc(NC(=O)c3cccnc3)c2C#N)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
LMNA P02545 6/20 0.62
GAA P10253 2/20 0.62
ALDH1A1 P00352 9/20 0.57
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
KDM4E B2RXH2 3/20 0.55
STAT3 P40763 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
HPGD P15428 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
RAB9A P51151 3/20 0.48
HTT P42858 1/20 0.48
GRM5 P41594 1/20 0.48
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 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
SCHEMBL3421633 0.89 ALDH1A1 (0.62) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3919729 0.89 ALDH1A1 (0.65) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3920972 0.88 MEN1 (0.70) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3931598 0.86 MAPT (0.69) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3931603 0.85 MAPT (0.68) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3419640 0.85 MAPT (0.79) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL3351788 0.85 STAT3 (0.46) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL13166094 0.85 STAT3 (0.46) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3419045 0.85 MEN1 (0.54) MEN1KMT2ASTAT3L3MBTL1GRM1
SCHEMBL28453179 0.84 STAT3 (0.68) MAPTLMNAALDH1A1MEN1KMT2A

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 13 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
EP-1756118-A1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Altana Pharma AG (DE) 2007-02-28 EP disclosed
WO-2005118592-A1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER ALTANA PHARMA AG (DE) 2005-12-15 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-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer BCL2, BAX, MCL1 MAPT 1411/4885LMNA 3962/4885GAA 3779/4885
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer BCL2, BAX, MCL1 MAPT 1402/4885LMNA 3882/4885GAA 3762/4885

“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.