SCHEMBL3583064

SCHEMBL3583064

O=c1nc(SCc2ccc(F)cc2)[nH]c2c1CCC2

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
HPGD P15428 4/20 0.50
MMP13 P45452 3/20 0.50
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAOB P27338 1/20 0.49
CTSB P07858 1/20 0.49
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 3/20 0.46
ALDH1A1 P00352 1/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PLA2G7 Q13093 1/20 0.44

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
SCHEMBL3536004 0.99 MAPT (0.65) MAPTHPGDMMP13LMNACYP1A2
SCHEMBL4381940 0.86 HPGD (0.49) MAPTHPGDMMP13LMNACYP1A2
SCHEMBL4375736 0.80 ALDH1A1 (0.53) MAPTHPGDLMNACTSBNPC1
SCHEMBL3583066 0.80 MAPT (0.97) MAPTHPGDMMP13LMNACYP1A2
SCHEMBL4379759 0.79 CXCR2 (0.42) MAPTHPGDMMP13LMNACYP1A2
SCHEMBL20867850 0.79 MMP13 (0.45) MAPTHPGDMMP13LMNACYP1A2
SCHEMBL4373932 0.78 CXCR2 (0.54) HPGDLMNA
SCHEMBL3536006 0.78 MAPT (1.00) MAPTHPGDMMP13LMNACYP1A2
SCHEMBL20867969 0.77 HPGD (0.43) MAPTHPGDMMP13LMNACYP1A2
SCHEMBL4717144 0.77 MAPT (0.40) MAPTHPGDLMNANPC1RAB9A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015087239-A1 PROCESSES FOR THE PREPARATION OF DARAPLADIB AND ITS INTERMEDIATES RANBAXY LABORATORIES LIMITED (IN) 2015-06-18 WO claimed
EP-1263740-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SmithKline Beecham plc (GB) 2002-12-11 EP claimed
WO-2001060805-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-23 WO claimed
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-09-28 US disclosed
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-09-28 US disclosed
US-11583596-B2 Radiolabeled Darapladib and analogs thereof and their use as imaging compounds INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-02-21 US disclosed
US-11583596-B2 Radiolabeled Darapladib and analogs thereof and their use as imaging compounds INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-02-21 US disclosed
EP-3687980-B1 RADIOLABELED DARAPLADIB, ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INST NAT SANTE RECH MED (FR) 2022-01-19 EP disclosed
EP-3687980-B1 RADIOLABELED DARAPLADIB, ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INST NAT SANTE RECH MED (FR) 2022-01-19 EP disclosed
US-20200276337-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2020-09-03 US disclosed
US-20200276337-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2020-09-03 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-7232902-B2 Process to prepare (1-carboxymethyl)-pyrimidinone compounds SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-19 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
EP-1456183-B1 PROCESS FOR PREPARING 1-(CARBOXYMETHYL)-AND 1-(AMINOCARBONYL)-PYRIMIDIN-4-ONE DERIVATES SMITHKLINE BEECHAM PLC (GB) 2006-04-19 EP disclosed
US-20040242875-A1 Novel processes SMITHKLINE BEECHAM PLC (GB) 2004-12-02 US disclosed
EP-1456183-A2 PROCESS FOR PREPARING 1-(CARBOXYMETHYL)-AND 1-(AMINOCARBONYL)-PYRIMIDIN-4-ONE DERIVATES SmithKline Beecham plc (GB) 2004-09-15 EP disclosed
WO-2003016287-A2 PROCESS FOR PREPARING 1-(CARBOXYMETHYL)- AND 1-(AMINOCARBONYL)- PYRIMIDIN-4-ONE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2003-02-27 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 (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-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 MAPT 4877/4885HPGD 355/4885MMP13 298/4885
US-11583596-B2 Radiolabeled Darapladib and analogs thereof and their use as imaging compounds PLA2G4B, PLA2G1B, PLA2G12B MAPT 4591/4885HPGD 434/4885MMP13 964/4885
US-20040242875-A1 Novel processes DHPS, FDPS, NUDT5 MAPT 3388/4885HPGD 662/4885MMP13 4862/4885
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS PLA2G4B, PLA2G1B, PLA2G12B MAPT 4591/4885HPGD 434/4885MMP13 964/4885
US-20200276337-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS PLA2G4B, PLA2G1B, PLA2G12B MAPT 4591/4885HPGD 434/4885MMP13 964/4885

“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.