SCHEMBL4734230

SCHEMBL4734230

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

nearest known ligand 0.53

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 18)

geneUniProtsupporting neighboursconfidence
PDE4A known ✓ P27815 1/20 0.38
CA4 known ✓ P22748 1/20 0.32
THRB known ✓ P10828 1/20 0.30
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL15007775 0.96 LMNA (0.48) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL11033302 0.96 LMNA (0.48) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL308389 0.96 LMNA (0.48) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL10356239 0.96 LMNA (0.48) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL3862937 0.96 LMNA (0.48) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL11210752 0.96 LMNA (0.48) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL5559507 0.96 LMNA (0.48) LMNAL3MBTL1PDE4ATDP1USP2
Potassium Ion SCHEMBL9419061 0.96 LMNA (0.48) LMNAL3MBTL1PDE4ATDP1USP2
SCHEMBL3899113 0.96 LMNA (0.48) LMNAL3MBTL1PDE4ATDP1USP2
Zinc Ion SCHEMBL1065443 0.96 LMNA (0.48) 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 41 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
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-9624232-B2 Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof RHODES TECHNOLOGIES (US) 2017-04-18 US disclosed
US-20060094872-A1 Process for the preparation of cephalosporin antibiotic ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2006-05-04 US disclosed
US-20060058281-A1 Process for the preparation of cephalosporin antibiotic ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2006-03-16 US disclosed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US disclosed
US-4379152-A Cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1983-04-05 US 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 (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-20150336972-A1 TRANSITION METAL-CATALYZED PROCESSES FOR THE PREPARATION OF N-ALLYL COMPOUNDS AND USE THEREOF OPRK1, OPRM1, OPRD1 PDE4A 690/4885CA4 1570/4885THRB 2096/4885
US-20060094872-A1 Process for the preparation of cephalosporin antibiotic MRPL21, CYP4F11, TREH PDE4A 451/4885CA4 617/4885THRB 3906/4885
US-20180273493-A1 AMORPHOUS TRISODIUM SACUBITRIL VALSARTAN AND A PROCESS FOR THE PREPARATION THEREOF AGT, ACE, TTR PDE4A 2165/4885CA4 953/4885THRB 2188/4885
US-20060058281-A1 Process for the preparation of cephalosporin antibiotic CUL1, MRPL21, DCAF1 PDE4A 1843/4885CA4 1030/4885THRB 3606/4885
US-10562866-B2 Amorphous trisodium sacubitril valsartan and a process for the preparation thereof AGT, ACE, TTR PDE4A 2165/4885CA4 953/4885THRB 2188/4885

“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.