SCHEMBL4995730

SCHEMBL4995730

O=C([O-])CC[C@@H](C(=O)[O-])N(CC(=O)O)CC(=O)O.O=C([O-])CC[C@@H](C(=O)[O-])N(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.42

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 15)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.42
CA2 known ✓ P00918 2/20 0.34
CA4 known ✓ P22748 1/20 0.30
FOLH1 Q04609 2/20 0.41
BBOX1 O75936 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NFKB1 P19838 2/20 0.31
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 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
SCHEMBL6544283 1.00 CA1 (0.42) CA1FOLH1BBOX1CA2GPR84
SCHEMBL11175488 1.00 CA1 (0.42) CA1FOLH1BBOX1CA2GPR84
SCHEMBL11175514 1.00 CA1 (0.42) CA1FOLH1BBOX1CA2GPR84
SCHEMBL29913566 0.96 CA1 (0.39) CA1FOLH1BBOX1CA2GPR84
Potassium Ion SCHEMBL11242145 0.96 CA1 (0.39) CA1FOLH1BBOX1CA2GPR84
Potassium Ion SCHEMBL30177587 0.96 CA1 (0.39) CA1FOLH1BBOX1CA2GPR84
Potassium Ion SCHEMBL11242121 0.96 CA1 (0.39) CA1FOLH1BBOX1CA2GPR84
SCHEMBL11175500 0.90 TET2 (0.35) FOLH1NFKB1BLM
SCHEMBL169001 0.88 CA1 (0.45) CA1FOLH1BBOX1CA2GPR84
SCHEMBL22194082 0.88 CA1 (0.45) CA1FOLH1BBOX1CA2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260068877-A1 COMPOSITION Aspire Technology Group Ltd (GB) 2026-03-12 US claimed
US-20260068878-A1 COMPOSITION Aspire Technology Group Ltd (GB) 2026-03-12 US claimed
US-12527327-B2 High hyaluronate multi-purpose disinfection solutions for ophthalmic applications CIS BIOPHARMA AG (CH) 2026-01-20 US claimed
EP-4658230-A1 PERSONAL CARE COMPOSITIONS Colgate-Palmolive Company (US) 2025-12-10 EP claimed
WO-2025132548-A1 COMPOSITION FOR LIGHTENING KERATIN FIBERS AND PROCESS FOR LIGHTENING KERATIN FIBERS USING SAID COMPOSITION L'OREAL (FR) 2025-06-26 WO claimed
WO-2025091213-A1 COMPOSITION FOR CONDITIONING THE HAIR L'OREAL (FR) 2025-05-08 WO claimed
WO-2025091216-A1 PROCESS FOR CONDITIONING THE HAIR L'OREAL (FR) 2025-05-08 WO claimed
EP-4543400-A1 METHOD FOR THE TREATMENT OF KERATIN FIBRES COMPRISING A PRETREATMENT OR POST-TREATMENT STEP L'OREAL (FR) 2025-04-30 EP claimed
WO-2025069043-A1 SUSTAINABLE COMPOSITIONS AND METHODS FOR DYEING AND/OR LIGHTENING KERATIN FIBRES L'OREAL (FR) 2025-04-03 WO claimed
US-20250057745-A1 USE OF A PARTICULAR CARBOXYLIC ACID OR SALTS THEREOF FOR REPAIRING AND/OR PREVENTING BREAKAGE OF KERATIN FIBRES L'OREAL (FR) 2025-02-20 US claimed
CN-117339992-B Method for removing rare earth elements in polluted soil in situ based on magnetic material 中国科学院广州地球化学研究所 2024-05-07 CN claimed
CN-117339992-A Method for removing rare earth elements in polluted soil in situ based on magnetic material 中国科学院广州地球化学研究所 2024-01-05 CN claimed
WO-2023247614-A1 METHOD FOR THE TREATMENT OF KERATIN FIBRES COMPRISING A PRETREATMENT OR POST-TREATMENT STEP L'OREAL (FR) 2023-12-28 WO claimed
WO-2023111059-A1 USE OF A PARTICULAR CARBOXYLIC ACID OR SALTS THEREOF FOR REPAIRING AND/OR PREVENTING BREAKAGE OF KERATIN FIBRES L'OREAL (FR) 2023-06-22 WO claimed
US-20230148604-A1 HIGH HYALURONATE MULTI-PURPOSE DISINFECTION SOLUTIONS FOR OPHTHALMIC APPLICATIONS CIS BIOPHARMA AG (CH) 2023-05-18 US claimed
WO-2023062523-A1 SANITIZING/CLEANING AND DISINFECTANT FORMULATION 99 HOLDING S.A.R.L. (LU) 2023-04-20 WO claimed
CN-115605185-A Use of a chelating agent to prevent the formation of visible particles in parenteral protein solutions 豪夫迈·罗氏有限公司(CH) 2023-01-13 CN claimed
EP-4082652-A1 ELECTRODIALYSIS DEVICE MEIKO Maschinenbau GmbH & Co. KG (DE) 2022-11-02 EP claimed
EP-2592134-B1 Sustainable cleaning agents and detergents COMPAD CONSULTING GMBH (CH) 2022-11-02 EP claimed
EP-3878816-A1 METHOD FOR PREPARING HIGH PURITY ALUMINUM MONOHYDRATE AND ALPHA ALUMINA Almatis GmbH (DE) 2021-09-15 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20260068878-A1 COMPOSITION SCD, SORD, SCD5 CA1 1115/4885CA2 610/4885CA4 785/4885
US-12527327-B2 High hyaluronate multi-purpose disinfection solutions for ophthalmic applications CD44, HCN4, MUC1 CA1 2875/4885CA2 1913/4885CA4 1965/4885
US-20250057745-A1 USE OF A PARTICULAR CARBOXYLIC ACID OR SALTS THEREOF FOR REPAIRING AND/OR PREVENTING BREAKAGE OF KERATIN FIBRES KRT18, CUTA, DSG1 CA1 100/4885CA2 61/4885CA4 127/4885
US-20260068877-A1 COMPOSITION SCD, SORD, CD44 CA1 1515/4885CA2 976/4885CA4 843/4885

“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.