SCHEMBL2793489

SCHEMBL2793489

O=C([O-])CC(CC(=O)[O-])(OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)[O-].[Na+].[Na+].[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 20)

geneUniProtsupporting neighboursconfidence
ACE known ✓ P12821 1/20 0.44
CA1 known ✓ P00915 10/20 0.35
CA2 known ✓ P00918 10/20 0.35
CA4 known ✓ P22748 6/20 0.35
TDP1 Q9NUW8 2/20 0.44
EYA2 O00167 1/20 0.44
APP P05067 1/20 0.44
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 2/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
TSHR P16473 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL1684287 0.77 TDP1 (0.50) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL7645486 0.75 CA4 (0.63) TDP1EYA2APPACEBLM
SCHEMBL873668 0.75 CA4 (0.38) LMNACA4
Edetic Acid SCHEMBL2785929 0.75 CA4 (0.63) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL5309881 0.74 TDP1 (0.47) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL14742967 0.72 CA4 (0.59) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL8818244 0.72 CA4 (0.59) TDP1EYA2APPACEBLM
SCHEMBL16393916 0.72 CA4 (0.46) CA4
Pentetic Acid SCHEMBL29409454 0.72 KDM4E (0.68) TDP1EYA2APPACEBLM
SCHEMBL3219620 0.72 CA4 (0.44) CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186757-A1 FORMULATIONS COMPOSED OF CATIONIC LIPIDS AND POLY(LACTIC-CO-GLYCOLIC ACID) FOR THE DELIVERY OF POLYNUCLEOTIDES INTO CELLS EVONIK OPERATIONS GMBH (DE) 2023-10-05 WO disclosed
CN-116672378-A Compound radix puerariae, radix scutellariae and coptis chinensis soup, and method and effect thereof 杭州师范大学附属医院 2023-09-01 CN disclosed
EP-3611269-A1 DELIVERY OF SELF-REPLICATING RNA USING BIODEGRADABLE POLYMER PARTICLES GlaxoSmithKline Biologicals SA (BE) 2020-02-19 EP disclosed
US-10485761-B2 Irradiated biodegradable polymer microparticles GLAXOSMITHKLINE BIOLOGICALS, S.A. (BE) 2019-11-26 US disclosed
EP-2591117-B1 DELIVERY OF SELF-REPLICATING RNA USING BIODEGRADABLE POLYMER PARTICLES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2019-05-08 EP disclosed
US-20180280301-A1 IRRADIATED BIODEGRADABLE POLYMER MICROPARTICLES GLAXOSMITHKLINE BIOLOGICALS, SA (BE) 2018-10-04 US disclosed
EP-2440245-B1 BENZONAPHTHYRIDINE-CONTAINING VACCINES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-12-06 EP disclosed
US-9795668-B2 Delivery of self-replicating RNA using biodegradable polymer particles GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2017-10-24 US disclosed
US-9517263-B2 Benzonaphthyridine-containing vaccines GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-13 US disclosed
US-9393215-B2 Nanoparticles for use in immunogenic compositions NOVARTIS AG (CH) 2016-07-19 US disclosed
CN-1535140-A Microparticle compositions and methods for producing same ϣ 2004-10-06 CN disclosed
US-20040156913-A1 Microparticle compositions and methods for the manufacture thereof CHIRON CORPORATION 2004-08-12 US disclosed
US-6753015-B2 POLY( ALPHA -HYDROXY ACID), A POLYHYDROXY BUTYRIC ACID, A POLYCAPROLACTONE, A POLYORTHOESTER, A POLYANHYDRIDE, AND THE LIKE, AND ARE FORMED USING CATIONIC, ANIONIC, OR NONIONIC DETERGENTS CHIRON CORPORATION 2004-06-22 US disclosed
EP-1322292-A2 MICROPARTICLE COMPOSITIONS AND METHODS FOR THE MANUFACTURE THEREOF CHIRON CORPORATION (US) 2003-07-02 EP disclosed
US-20020136776-A1 Microparticle compositions and methods for the manufacture thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2002-09-26 US disclosed
WO-2002026212-A2 MICROPARTICLE COMPOSITIONS AND METHODS FOR THE MANUFACTURE THEREOF CHIRON CORPORATION (US) 2002-04-04 WO disclosed
US-6365405-B1 TREATING SAMPLE WITH RECOMBINANT ENYZME TO DISSOCIATE CHONDROCYTES, CULTURING IN MONOLAYER, AND CONTACTING WITH POLYOSIDIC DERIVATIVE COMPOUND IN ORDER TO DETACH ADHERING CHONDROCYTES UNIVERSITE PIERRE ET MARIE CURIE (PARIS IV) (FR) 2002-04-02 US disclosed
EP-1129724-A2 Vaccines for treating colon cancer THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2001-09-05 EP disclosed
EP-0662839-A1 VACCINES AND ANTIGENIC CONJUGATES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-07-19 EP disclosed
WO-1994007530-A1 VACCINES AND ANTIGENIC CONJUGATES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1994-04-14 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 (2 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-10485761-B2 Irradiated biodegradable polymer microparticles EXOSC9, TNF, EXOSC5 ACE 4698/4885CA1 3198/4885CA2 4237/4885
US-20180280301-A1 IRRADIATED BIODEGRADABLE POLYMER MICROPARTICLES EXOSC9, TNF, EXOSC5 ACE 4698/4885CA1 3198/4885CA2 4237/4885

“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.