SCHEMBL4170548

SCHEMBL4170548

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
COMT P21964 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.34
VCAM1 P19320 1/20 0.34
ACACB O00763 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC10A6 Q3KNW5 1/20 0.33
USP10 Q14694 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4793851 0.94 ALDH1A1 (0.33) ALDH1A1COMTKMT2AMEN1MAPT
SCHEMBL4793839 0.85 MAPT (0.33) KMT2AMEN1MAPTKDM4E
SCHEMBL3884373 0.79 ALDH1A1 (0.40) ALDH1A1COMTMAPTLMNAVCAM1
SCHEMBL4163196 0.78 L3MBTL1 (0.39) ALDH1A1COMTKMT2AMEN1VCAM1
SCHEMBL4172823 0.77 IKBKB (0.41) ALDH1A1COMTKMT2AMEN1MAPT
SCHEMBL4167224 0.74 ATM (0.34) ALDH1A1COMTKMT2AMEN1VCAM1
SCHEMBL13315269 0.73 RAF1 (0.46) ALDH1A1COMTKMT2AMEN1MAPT
SCHEMBL4180845 0.73 ALDH1A1 (0.42) ALDH1A1COMTKMT2AMEN1MAPT
SCHEMBL3231061 0.71 USP10 (0.48) ALDH1A1COMTKMT2AMEN1MAPT
SCHEMBL3550374 0.68 RAF1 (0.47) MAPTVCAM1

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 3 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

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 ALDH1A1 100/4885COMT 101/4885KMT2A 734/4885

“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.