SCHEMBL4163196

SCHEMBL4163196

COC(=O)c1sc(C#CC(C)(C)O)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
VCAM1 P19320 1/20 0.38
PARP14 Q460N5 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
SLC10A6 Q3KNW5 1/20 0.37
ALDH1A1 P00352 5/20 0.36
COMT P21964 1/20 0.36
USP10 Q14694 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4794540 0.84 MAPT (0.32) SMN1; SMN2HTTALDH1A1USP10KMT2A
SCHEMBL3884373 0.81 ALDH1A1 (0.40) VCAM1SMN1; SMN2SLC10A6ALDH1A1COMT
SCHEMBL4172823 0.79 IKBKB (0.41) VCAM1SMN1; SMN2SLC10A6ALDH1A1COMT
SCHEMBL4170548 0.78 ALDH1A1 (0.35) VCAM1SMN1; SMN2SLC10A6ALDH1A1COMT
SCHEMBL3231061 0.76 USP10 (0.48) VCAM1PARP14SLC10A6ALDH1A1COMT
SCHEMBL4167224 0.76 ATM (0.34) L3MBTL1VCAM1SLC10A6ALDH1A1COMT
SCHEMBL3550374 0.75 RAF1 (0.47) L3MBTL1VCAM1
SCHEMBL4793851 0.73 ALDH1A1 (0.33) VCAM1SMN1; SMN2SLC10A6ALDH1A1COMT
SCHEMBL10206102 0.72 SMN1; SMN2 (0.39) L3MBTL1SMN1; SMN2HTTALDH1A1HPGD
SCHEMBL4180845 0.72 ALDH1A1 (0.42) VCAM1PARP14SLC10A6ALDH1A1COMT

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 5 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 L3MBTL1 4587/4885VCAM1 1397/4885PARP14 2647/4885

“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.