SCHEMBL4176316

SCHEMBL4176316

COC(=O)c1sc(C(=O)C2CCCC2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
NPC1 O15118 5/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 4/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
IKBKB O14920 1/20 0.44
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ATM Q13315 2/20 0.36
HTT P42858 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL4256288 0.88 KDM4E (0.41) KDM4ENPC1MAPTRAB9ACASP3
SCHEMBL3239031 0.80 KDM4E (0.54) KDM4ENPC1MAPTRAB9ACASP3
SCHEMBL9722742 0.79 CISD2 (0.46) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL12523092 0.78 KDM4E (0.53) KDM4ENPC1MAPTRAB9ACASP3
SCHEMBL4773050 0.76 HDAC1 (0.37) KDM4ENPC1MAPTRAB9ACASP3
SCHEMBL4166268 0.76 KDM4E (0.41) KDM4ENPC1MAPTRAB9ACASP3
SCHEMBL4181600 0.75 ALDH1A1 (0.39) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL4181610 0.75 ALDH1A1 (0.39) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL29273318 0.74 KDM4E (0.49) KDM4ENPC1MAPTRAB9ACASP3
SCHEMBL4259136 0.74 KDM4E (0.49) KDM4ENPC1MAPTRAB9ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987042-B1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2015-01-21 EP disclosed
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-8828991-B2 Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-09 US disclosed
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
EP-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP disclosed
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT KDM4E 414/4885NPC1 325/4885MAPT 4471/4885
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 KDM4E 411/4885NPC1 1063/4885MAPT 2145/4885

“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.