SCHEMBL4176381

SCHEMBL4176381

COC(=O)c1sc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
MAPT P10636 8/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
IKBKB O14920 1/20 0.39
ALDH1A1 P00352 8/20 0.37
HPGD P15428 6/20 0.37
HSD17B10 Q99714 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 3/20 0.37
ALOX15 P16050 2/20 0.37
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36

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 0.89 KDM4E (0.38) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL4772471 0.87 KDM4E (0.35) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL4772473 0.87 KDM4E (0.35) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL4174776 0.81 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDKMT2A
SCHEMBL4166226 0.79 ALDH1A1 (0.34) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL4166237 0.79 ALDH1A1 (0.34) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL4770425 0.77 RAF1 (0.31) KDM4EMAPTALDH1A1LMNAMAPK13
SCHEMBL3249150 0.71 KDM4E (0.51) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL431794 0.67 MAPT (0.74) KDM4EMAPTNPC1RAB9ACASP3
Hydrochloric Acid SCHEMBL8864118 0.66 MAPT (0.72) KDM4EMAPTNPC1RAB9ACASP3

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 2145/4885NPC1 1063/4885

“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.