SCHEMBL169002

SCHEMBL169002

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

nearest known ligand 0.45

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
CA1 known ✓ P00915 3/20 0.45
CA2 known ✓ P00918 2/20 0.36
CA4 known ✓ P22748 1/20 0.32
FOLH1 Q04609 3/20 0.43
BBOX1 O75936 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
FFAR3 O14843 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
NFKB1 P19838 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
CYP3A4 P08684 1/20 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
SCHEMBL169001 1.00 CA1 (0.45) CA1FOLH1BBOX1CA2GPR84
SCHEMBL20298460 1.00 CA1 (0.45) CA1FOLH1BBOX1CA2GPR84
SCHEMBL22194082 1.00 CA1 (0.45) CA1FOLH1BBOX1CA2GPR84
Lithium Ion SCHEMBL31678992 0.96 FOLH1 (0.43) CA1FOLH1BBOX1CA2GPR84
Potassium Ion SCHEMBL11242127 0.96 CA1 (0.41) CA1FOLH1BBOX1CA2GPR84
SCHEMBL29913566 0.93 CA1 (0.39) CA1FOLH1BBOX1CA2GPR84
SCHEMBL11175514 0.88 CA1 (0.42) CA1FOLH1BBOX1CA2GPR84
SCHEMBL4995730 0.88 CA1 (0.42) CA1FOLH1BBOX1CA2GPR84
SCHEMBL5697607 0.88 TET2 (0.34) CA1FOLH1NFKB1KDM4EMAPT
SCHEMBL6544283 0.88 CA1 (0.42) 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 120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025041008-A1 SYNERGISTIC PESTICIDAL COMPOSITION MALHOTRA SUNITA (IN) 2025-02-27 WO claimed
WO-2025008790-A1 STABLE SYNERGISTIC HERBICIDAL COMPOSITION MUNJAL SMITA (IN) 2025-01-09 WO claimed
EP-4183858-A1 SUSTAINABLE CLEANING AGENTS AND DETERGENTS Compad Consulting GmbH (CH) 2023-05-24 EP claimed
EP-3564350-B1 METHOD FOR CLEANING SURGICAL INSTRUMENTS DR SCHUMACHER GMBH (DE) 2023-05-03 EP claimed
US-11326131-B2 Cleaning composition AMITY LIMITED (GB) 2022-05-10 US claimed
US-10711224-B2 Compositions and methods useful for removing tablet coatings ECOLAB USA INC. (US) 2020-07-14 US claimed
WO-2026088129-A1 STABLE SYNERGISTIC PESTICIDAL COMPOSITION RANI SANGEETA (IN) 2026-04-30 WO disclosed
WO-2026088130-A1 STABLE SYNERGISTIC PESTICIDAL COMPOSITION RANI SANGEETA (IN) 2026-04-30 WO disclosed
WO-2026088131-A1 STABLE SYNERGISTIC PESTICIDAL COMPOSITION COMPRISING TOLFENPYRAD, ETHION, AND PYRIPROXYFEN RANI SANGEETA (IN) 2026-04-30 WO disclosed
EP-3540033-B2 PROCESS FOR CLEANING AND LABEL REMOVAL FOR BOTTLES ECOLAB USA INC (US) 2026-04-01 EP disclosed
US-12569421-B2 Agents for oxidatively changing the color of keratin fibers, comprising a complexing agent, an activator, and an oxidant HENKEL AG & CO. KGAA (DE) 2026-03-10 US disclosed
US-12467020-B2 Pressed, self-solidifying, solid cleaning compositions and methods of making them ECOLAB USA INC. (US) 2025-11-11 US disclosed
EP-3728487-B1 METHOD OF REMOVING POLYMERIC MATERIAL COMPRISING HETEROATOMS FROM A SURFACE USING COMPOSITIONS INCLUDING A KETO-ESTER COMPOUND FOURTH PRINCIPLE LLC (US) 2025-07-02 EP disclosed
US-20110186081-A1 SUPPORT CLEANING SYSTEM STRATASYS, INC. (US) 2011-08-04 US disclosed
WO-2011084995-A2 SUPPORT CLEANING SYSTEM STRATASYS, INC. (US) 2011-07-14 WO disclosed
US-20110166236-A1 CLEANING COMPOSITION AMITY LIMITED (GB) 2011-07-07 US disclosed
US-20090102085-A1 Pressed, self-solidifying, solid cleaning compositions and methods of making them ECOLAB INC. (US) 2009-04-23 US disclosed
US-20080234173-A1 PRESERVATIVE COMPOSITIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-09-25 US disclosed
EP-1964541-A1 Preservative compositions Takasago International Corporation (JP) 2008-09-03 EP disclosed
EP-1964543-A1 Preservative compositions Takasago International Corporation (JP) 2008-09-03 EP 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 (1 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-12569421-B2 Agents for oxidatively changing the color of keratin fibers, comprising a complexing agent, an activator, and an oxidant KRT18, LPO, GPX1 CA1 405/4885CA2 83/4885CA4 323/4885

“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.