SCHEMBL4159633

SCHEMBL4159633

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP10 Q14694 1/20 0.38
VCAM1 P19320 1/20 0.38
PARP14 Q460N5 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC10A6 Q3KNW5 1/20 0.37
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
COMT P21964 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
CHEK1 O14757 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
SCHEMBL4778542 0.86 ALDH1A1 (0.35) USP10PARP14HTTSLC10A6ALDH1A1
SCHEMBL4778548 0.86 ALDH1A1 (0.35) USP10PARP14HTTSLC10A6ALDH1A1
SCHEMBL4794540 0.82 MAPT (0.32) USP10HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4168382 0.79 KDM4E (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL3231061 0.76 USP10 (0.48) USP10VCAM1PARP14SLC10A6PDGFRB
SCHEMBL3550374 0.75 RAF1 (0.47) VCAM1MAPTL3MBTL1
SCHEMBL4180845 0.72 ALDH1A1 (0.42) USP10VCAM1PARP14SLC10A6PDGFRB
SCHEMBL4163196 0.72 L3MBTL1 (0.39) USP10VCAM1PARP14HTTSMN1; SMN2
SCHEMBL4172016 0.71 ALDH1A1 (0.41) HTTSMN1; SMN2ALDH1A1NPSR1HPGD
SCHEMBL4172013 0.71 ALDH1A1 (0.41) HTTSMN1; SMN2ALDH1A1NPSR1HPGD

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 USP10 3744/4885VCAM1 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.