SCHEMBL4174776

SCHEMBL4174776

COC(=O)c1sc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
RAF1 P04049 5/20 0.41
MAPK14 Q16539 3/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
FABP3 P05413 1/20 0.35
FABP1 P07148 1/20 0.35
FABP2 P12104 1/20 0.35
FABP4 P15090 1/20 0.35
BLM P54132 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
SCHEMBL4774819 0.94 KDM4E (0.38) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4769679 0.91 KDM4E (0.36) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4770425 0.84 RAF1 (0.31) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4176381 0.81 KDM4E (0.44) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4166237 0.74 ALDH1A1 (0.34) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL4166226 0.74 ALDH1A1 (0.34) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL19838123 0.73 RAF1 (0.42) KDM4EMAPTALDH1A1LMNARAF1
SCHEMBL19838302 0.72 RAF1 (0.38) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4772471 0.71 KDM4E (0.35) KDM4EMAPTALDH1A1HTT
SCHEMBL101455 0.69 RAF1 (0.42) KDM4EMAPTALDH1A1LMNARAF1

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 KDM4E 411/4885MAPT 2145/4885ALDH1A1 100/4885

“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.