SCHEMBL321998

SCHEMBL321998

CCCCCNCC(=O)[O-].[Na+]

nearest known ligand 0.54

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 12)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.54
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
FABP3 P05413 5/20 0.47
FFAR3 O14843 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NFKB1 P19838 1/20 0.46
EPHX1 P07099 4/20 0.45
GPR84 Q9NQS5 1/20 0.44

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
SCHEMBL1490963 0.98 CA1 (0.52) CA1ALDH1A1TSHRFABP3EPHX1
SCHEMBL22534532 0.98 CA1 (0.52) CA1ALDH1A1TSHRFABP3EPHX1
SCHEMBL6660469 0.98 CA1 (0.52) CA1ALDH1A1TSHRFABP3EPHX1
SCHEMBL1115447 0.98 CA1 (0.52) CA1ALDH1A1TSHRFABP3EPHX1
Potassium Ion SCHEMBL2802759 0.96 FABP3 (0.50) CA1ALDH1A1TSHRFABP3EPHX1
Dodicin SCHEMBL29987916 0.94 ALDH1A1 (0.50) CA1ALDH1A1TSHRFABP3EPHX1
SCHEMBL610050 0.94 ALDH1A1 (0.50) CA1ALDH1A1TSHRFABP3EPHX1
SCHEMBL11627739 0.94 FABP3 (0.50) CA1ALDH1A1TSHRFABP3EPHX1
Potassium Ion SCHEMBL6660182 0.94 FABP3 (0.53) CA1ALDH1A1TSHRFABP3EPHX1
SCHEMBL10484717 0.94 FABP3 (0.50) CA1ALDH1A1TSHRFABP3EPHX1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612092-B Liquid personal cleansing compositions 联合利华知识产权控股有限公司 2022-10-14 CN disclosed
CN-110612092-A Liquid personal cleansing compositions 荷兰联合利华有限公司 2019-12-24 CN disclosed
EP-2870136-B1 PROCESS FOR PREPARING N-ACYL AMINO ACID SALTS STEPAN CO (US) 2018-10-24 EP disclosed
US-20160074310-A1 Composition Containing Oil Bodies, Fatty Acids, Amino Acid Surfactants And N-Methyl-N-Acylglucamines CLARIANT INTERNATIONAL LTD. (CH) 2016-03-17 US disclosed
US-9242124-B2 Low-temperature phase-stable acyl glycinate compositions RHODIA OPERATIONS (FR) 2016-01-26 US disclosed
US-9156777-B2 Process for preparing N-acyl amino acid salts STEPAN COMPANY (US) 2015-10-13 US disclosed
EP-2870136-A1 PROCESS FOR PREPARING N-ACYL AMINO ACID SALTS Stepan Company (US) 2015-05-13 EP disclosed
US-20150126776-A1 PROCESS FOR PREPARING N-ACYL AMINO ACID SALTS STEPAN COMPANY 2015-05-07 US disclosed
US-20150011456-A1 LOW-TEMPERATURE PHASE-STABLE ACYL GLYCINATE COMPOSITIONS RHODIA OPERATIONS (FR) 2015-01-08 US disclosed
WO-2014008103-A1 PROCESS FOR PREPARING N-ACYL AMINO ACID SALTS STEPAN COMPANY (US) 2014-01-09 WO disclosed
US-8350080-B2 Method for the production of acyl glycinates by means of direct oxidation CLARIANT FINANCE (BVI) LIMITED (BV) 2013-01-08 US disclosed
US-8093414-B2 Process for preparing acylglycinates by means of direct oxidation CLARIANT FINANCE (BVI) LIMITED (VG) 2012-01-10 US disclosed
US-20100305358-A1 Method For The Production Of Acyl Glycinates By Means Of Direct Oxidation CLARIANT FINANCE (BVI) LIMITED (VG) 2010-12-02 US disclosed
US-20100286418-A1 Process For Preparing Acylglycinates By Means Of Direct Oxidation CLARIANT FINANCE (BVI) LIMITED (VG) 2010-11-11 US disclosed
JP-2009007281-A SKIN DETERGENT COMPOSITION AND SKIN DETERGENT P & P F:KK 2009-01-15 JP disclosed
EP-1000606-B1 Weak acid skin cleanser containing an alkali salt of N-acyl-amino acid AJINOMOTO KK (JP) 2007-02-14 EP disclosed
US-6582687-B1 Skin cleanser containing an alkali salt of N- acylamino acid and maltitolhydroxy aliphatic ether, or a hydroxy ether carboxylic acid-based anionic surfactant, or polyethylene powder, as well as water and an organic acid. Also, SHISEIDO COMPANY, LTD. (JP) 2003-06-24 US disclosed
EP-1000606-A2 Weak acid skin cleanser containing an alkali salt of N-acyl-amino acid SHISEIDO COMPANY LIMITED (JP) 2000-05-17 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 (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-20100286418-A1 Process For Preparing Acylglycinates By Means Of Direct Oxidation FADS1, UGCG, AGPAT2 CA1 440/4885ALDH1A1 463/4885TSHR 3205/4885
US-20150011456-A1 LOW-TEMPERATURE PHASE-STABLE ACYL GLYCINATE COMPOSITIONS ALG1, FUT5, FUT6 CA1 270/4885ALDH1A1 3618/4885TSHR 4049/4885
US-20160074310-A1 Composition Containing Oil Bodies, Fatty Acids, Amino Acid Surfactants And N-Methyl-N-Acylglucamines DGAT2, SGMS2, FABP4 CA1 3826/4885ALDH1A1 2836/4885TSHR 4201/4885
US-20100305358-A1 Method For The Production Of Acyl Glycinates By Means Of Direct Oxidation ACOX1, ACOX3, ACADM CA1 66/4885ALDH1A1 146/4885TSHR 2123/4885

“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.