SCHEMBL3583828

SCHEMBL3583828

CCOC(=O)c1c[nH]c(SCc2ccc(F)cc2)nc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EGFR P00533 1/20 0.42
MET P08581 1/20 0.42
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL9889469 0.80 CYP4F2 (0.39) TSHRMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL4953029 0.79 EGFR (0.49) MAPTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL3543184 0.79 LMNA (0.44) MAPTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL9108890 0.79 KDM4E (0.39) NPSR1
SCHEMBL3545054 0.78 LMNA (0.50) MAPTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL27904007 0.78 GPR84 (0.46) MAPTSMN1; SMN2NPC1LMNAGABRA1
SCHEMBL15015768 0.78 MEN1 (0.51) TSHRMAPTALDH1A1LMNAHPGD
SCHEMBL3583829 0.77 KDM6B (0.55) TSHRMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL11013234 0.77 ALDH1A1 (0.50) TSHRMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL3533571 0.76 CTSB (0.44) TSHRMAPTSMN1; SMN2ALDH1A1NPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871775-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-20120172378-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS HICKEY DEIDRE MARY BERNADETTE 2010-06-10 US disclosed
US-7638520-B2 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2009-12-29 US disclosed
EP-1686119-B1 Pyrimidine-5-one derivatives as LDL-PLA2 inhibitors SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds SMITHKLINE BEECHAM P.L.C. 2009-07-02 US disclosed
US-7470694-B2 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM, PLC (GB) 2008-12-30 US disclosed
US-20070155762-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC 2007-07-05 US disclosed
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM PLC 2007-05-31 US disclosed
US-7153861-B2 For therapy of atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-26 US disclosed
EP-1686119-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2006-08-02 EP disclosed
EP-1263740-B1 PYRIMIDINE-4-ONE DERIVATIVE AS LDL-PLA2 INHIBITOR SMITHKLINE BEECHAM PLC (GB) 2006-07-19 EP 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 (5 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-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds PLA2G4A, PLA2G4B, PLA2G1B TSHR 4316/4885MAPT 4517/4885SMN1; SMN2 2914/4885
US-20120172378-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B TSHR 4439/4885MAPT 4738/4885SMN1; SMN2 3960/4885
US-20070155762-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase PLAT, PLA2G7, LYPLAL1 TSHR 4135/4885MAPT 4877/4885SMN1; SMN2 4043/4885
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis PLA2G7, PLAT, PLA2G1B TSHR 3991/4885MAPT 4874/4885SMN1; SMN2 2858/4885
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS PLA2G4A, PLA2G4B, PLA2G1B TSHR 4316/4885MAPT 4517/4885SMN1; SMN2 2914/4885

“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.