SCHEMBL4727419

SCHEMBL4727419

CCC(O)(C(=O)[O-])C(O)C(O)C(O)CO.[Na+]

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A known ✓ P27815 1/20 0.34
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL5559509 0.96 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL3862940 0.96 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL10356240 0.96 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL6700717 0.96 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL18103757 0.96 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL2520025 0.96 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL15263244 0.96 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
Potassium Ion SCHEMBL9419063 0.96 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL6704039 0.96 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL6129267 0.96 LMNA (0.40) LMNAL3MBTL1PDE4ATDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273493-A1 AMORPHOUS TRISODIUM SACUBITRIL VALSARTAN AND A PROCESS FOR THE PREPARATION THEREOF MYLAN LABORATORIES LIMITED (IN) 2018-09-27 US claimed
US-9593124-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-03-14 US claimed
WO-2016125123-A1 AMORPHOUS TRISODIUM SACUBITRIL VALSARTAN AND A PROCESS FOR THE PREPARATION THEREOF MYLAN LABORATORIES LIMITED (IN) 2016-08-11 WO claimed
EP-2995614-A1 TRANSITION METAL-CATALYZED PROCESSES FOR THE PREPARATION OF N-ALLYL COMPOUNDS AND USE THEREOF Rhodes Technologies Inc. (US) 2016-03-16 EP claimed
US-20150336972-A1 TRANSITION METAL-CATALYZED PROCESSES FOR THE PREPARATION OF N-ALLYL COMPOUNDS AND USE THEREOF NORAMCO, LLC 2015-11-26 US claimed
US-9127014-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2015-09-08 US claimed
EP-2580201-A2 TRANSITION METAL-CATALYZED PROCESSES FOR THE PREPARATION OF N-ALLYL COMPOUNDS AND USE THEREOF Rhodes Technologies (US) 2013-04-17 EP claimed
WO-2011154827-A2 TRANSITION METAL-CATALYZED PROCESSES FOR THE PREPARATION OF N-ALLYL COMPOUNDS AND USE THEREOF RHODES TECHNOLOGIES (US) 2011-12-15 WO claimed
WO-2008041100-A1 IMPROVED PROCESS FOR THE PREPARATION OF CEPHALOSPORIN ANTIBIOTICS ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-04-10 WO claimed
US-10562866-B2 Amorphous trisodium sacubitril valsartan and a process for the preparation thereof MYLAN LABORATORIES LIMITED (IN) 2020-02-18 US disclosed
US-20180273493-A1 AMORPHOUS TRISODIUM SACUBITRIL VALSARTAN AND A PROCESS FOR THE PREPARATION THEREOF MYLAN LABORATORIES LIMITED (IN) 2018-09-27 US disclosed
EP-2995614-B1 TRANSITION METAL-CATALYZED PROCESSES FOR THE PREPARATION OF N-ALLYL COMPOUNDS AND USE THEREOF RHODES TECH INC (US) 2018-01-31 EP disclosed
EP-2580201-B1 TRANSITION METAL-CATALYZED PROCESSES FOR THE PREPARATION OF N-ALLYL COMPOUNDS AND USE THEREOF RHODES TECH (US) 2017-08-02 EP disclosed
US-9657030-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-05-23 US disclosed
US-4385060-A BACTERICIDES AND PROPHYLAXIS BEECHAM GROUP LIMITED (GB) 1983-05-24 US disclosed
US-4379152-A Cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1983-04-05 US disclosed
EP-0026644-B1 ORTHO-TOLYL ESTER OF AN ALPHA-CARBOXY PENICILLIN, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE PENICILLIN BEECHAM GROUP PLC (GB) 1982-12-01 EP disclosed
EP-0026644-A1 Ortho-tolyl ester of an alpha-carboxy penicillin, process for its preparation and pharmaceutical compositions comprising the penicillin BEECHAM GROUP PLC (GB) 1981-04-08 EP disclosed
US-RE29164-E BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-29 US disclosed
US-3981865-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JA) 1976-09-21 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 (3 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-20150336972-A1 TRANSITION METAL-CATALYZED PROCESSES FOR THE PREPARATION OF N-ALLYL COMPOUNDS AND USE THEREOF OPRK1, OPRM1, OPRD1 PDE4A 690/4885LMNA 3518/4885L3MBTL1 3028/4885
US-20180273493-A1 AMORPHOUS TRISODIUM SACUBITRIL VALSARTAN AND A PROCESS FOR THE PREPARATION THEREOF AGT, ACE, TTR PDE4A 2165/4885LMNA 2439/4885L3MBTL1 4761/4885
US-10562866-B2 Amorphous trisodium sacubitril valsartan and a process for the preparation thereof AGT, ACE, TTR PDE4A 2165/4885LMNA 2439/4885L3MBTL1 4761/4885

“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.