SCHEMBL29554649

SCHEMBL29554649

C=CC(=O)C(CS(=O)(=O)[O-])N(C)C.C=CC(=O)OCCO.[Na+]

nearest known ligand 0.49

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 8)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.31
TSHR P16473 6/20 0.49
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4760195 0.87 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30326885 0.85
Acrylic Acid SCHEMBL31339230 0.81 LMNA (0.32)
Acrylamide SCHEMBL29620829 0.79 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL4760194 0.77 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30119156 0.76
SCHEMBL31554858 0.76 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
Vinylsulfonic Acid SCHEMBL28831870 0.74 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
Trimethylammonium SCHEMBL9145191 0.73 TSHR (0.83) TSHRHPGDALDH1A1TP53HIF1A
Sulfuric Acid SCHEMBL1683520 0.70 TSHR (0.83) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120000564-A Composition with whitening and brightening effects and preparation method thereof 厦门芳雪蘭化妆品有限公司 2025-05-16 CN claimed
CN-116473885-A Skin care cream containing olive tender bud extract and lotus flower extract and preparation method thereof 澳宝化妆品(惠州)有限公司 2023-07-25 CN claimed
CN-120000564-A Composition with whitening and brightening effects and preparation method thereof 厦门芳雪蘭化妆品有限公司 2025-05-16 CN disclosed
US-12296041-B2 Hair care compositions L'OREAL (FR) 2025-05-13 US disclosed
CN-119139164-A Electrolyte-resistant composition and application thereof 华熙生物科技股份有限公司 2024-12-17 CN disclosed
EP-4240301-A1 PROTECTIVE DEVICE AS A TEMPORARY SEALING MEANS DURING SEXUAL ACTIVITIES, FOR PREVENTING INFLAMMATION OF THE URINARY TRACT AND BLADDER Jakumeit, Selina (DE) 2023-09-13 EP disclosed
US-20230070691-A1 STABLE COMPOSITION COMPRISING COMBINATION OF SPECIFIC INGREDIENTS L'OREAL (FR) 2023-03-09 US disclosed
US-20220354768-A1 HAIR CARE COMPOSITIONS L'OREAL (FR) 2022-11-10 US disclosed
WO-2022232204-A1 HAIR CARE COMPOSITIONS L'OREAL (FR) 2022-11-03 WO disclosed
CN-114288305-B Skin repair composition and preparation method thereof 悦康悦丽雅(北京)科技有限公司 2022-11-01 CN disclosed
EP-4076370-A1 STABLE COMPOSITION COMPRISING COMBINATION OF SPECIFIC INGREDIENTS L'Oréal (FR) 2022-10-26 EP disclosed
US-20220273552-A1 HAIR COSMETIC COMPOSITIONS L'OREAL (FR) 2022-09-01 US disclosed
EP-3727292-B1 HYDROGEN PEROXIDE FORMULATIONS IN BARRIER LAYER FILMS WITH A SILICON OXIDE LAYER HENKEL AG & CO KGAA (DE) 2022-08-17 EP disclosed
EP-3727293-B1 HYDROGEN PEROXIDE FORMULATIONS IN BARRIER LAYER FILMS WITH A METALLIZED LAYER HENKEL AG & CO KGAA (DE) 2022-08-17 EP disclosed
WO-2022096671-A1 PROTECTIVE DEVICE AS A TEMPORARY SEALING MEANS DURING SEXUAL ACTIVITIES, FOR PREVENTING INFLAMMATION OF THE URINARY TRACT AND BLADDER JAKUMEIT SELINA (DE) 2022-05-12 WO disclosed
US-11324676-B2 Hydrogen peroxide formulations in barrier layer films with a metalized layer HENKEL AG & CO. KGAA (DE) 2022-05-10 US disclosed
CN-114288305-A Skin repair composition and preparation method thereof 悦康悦丽雅(北京)科技有限公司 2022-04-08 CN 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-12296041-B2 Hair care compositions SGMS1, PHOSPHO1, EP300 THRB 755/4885TSHR 3074/4885HPGD 3652/4885
US-20220273552-A1 HAIR COSMETIC COMPOSITIONS PLIN5, DSG1, CUTA THRB 3230/4885TSHR 3408/4885HPGD 1495/4885
US-20230070691-A1 STABLE COMPOSITION COMPRISING COMBINATION OF SPECIFIC INGREDIENTS LTB4R, LTB4R2, HACD3 THRB 1238/4885TSHR 4043/4885HPGD 419/4885
US-20220354768-A1 HAIR CARE COMPOSITIONS SGMS1, PHOSPHO1, EP300 THRB 755/4885TSHR 3074/4885HPGD 3652/4885

“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.