SCHEMBL339202

SCHEMBL339202

CCCCCCCCCCCCCC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.39

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 7)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.37
CA2 known ✓ P00918 1/20 0.35
CES2 O00748 6/20 0.39
GPR84 Q9NQS5 1/20 0.36
CES1 P23141 4/20 0.35
FAAH O00519 3/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL1552115 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL28919474 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL7967481 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL2729135 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL11432185 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL10993074 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL2957022 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL219970 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL1666274 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1
SCHEMBL9651109 1.00 CES2 (0.39) CES2CA1GPR84CA2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099342-A1 COOLING PRODUCT SYMRISE AG (DE) 2019-04-04 US claimed
US-20100184816-A1 Method for Reducing the Phytotoxicity of Azoles on Dicotyledonous Plants by Adding Additives BAYER CROPSCIENCE AG (DE) 2010-07-22 US claimed
EP-0402213-B1 Process for the manufacture of polyvinyl butyral and resulting products DU PONT (US) 1994-09-21 EP claimed
US-12629327-B2 Keratin-based hair straightening formulations, methods and systems BEAUTY BIOLABS LLC (US) 2026-05-19 US disclosed
WO-2026087745-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-30 WO disclosed
EP-4732825-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-29 EP disclosed
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS SYMRISE AG (DE) 2026-04-09 US disclosed
EP-4186969-B1 SUPER-CONCENTRATED DILUTABLE POWDER FOR DISHWASHING APPLICATION HENKEL AG & CO KGAA (DE) 2026-04-01 EP disclosed
EP-4025675-B1 A PERFUME OIL MIXTURE SYMRISE AG (DE) 2026-03-18 EP disclosed
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2026-02-19 US disclosed
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent SYMRISE AG (DE) 2026-02-12 US disclosed
WO-2002012423-A2 DEODORISING TEXTILE TREATMENT AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-14 WO disclosed
US-20010031712-A1 Surfactant Combination HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA (DE) 2001-10-18 US disclosed
EP-0090142-B2 PROCESS TO PRODUCE MOULDABLE VINYL CHLORIDE POLYMERS HÜLS AKTIENGESELLSCHAFT (DE) 1990-12-05 EP disclosed
EP-0144614-B1 PROCESS FOR PRODUCING VINYL CHLORIDE POLYMERS HÜLS AKTIENGESELLSCHAFT (DE) 1989-05-31 EP disclosed
EP-0108884-B1 PROCESS FOR PRODUCING VINYL CHLORIDE POLYMERS HÜLS AKTIENGESELLSCHAFT (DE) 1987-06-10 EP disclosed
EP-0090142-B1 PROCESS TO PRODUCE MOULDABLE VINYL CHLORIDE POLYMERS HÜLS AKTIENGESELLSCHAFT (DE) 1986-02-26 EP disclosed
EP-0144614-A2 Process for producing vinyl chloride polymers HÜLS AKTIENGESELLSCHAFT (DE) 1985-06-19 EP disclosed
EP-0108884-A1 Process for producing vinyl chloride polymers HÜLS AKTIENGESELLSCHAFT (DE) 1984-05-23 EP disclosed
EP-0090142-A2 Process to produce mouldable vinyl chloride polymers HÜLS AKTIENGESELLSCHAFT (DE) 1983-10-05 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 (6 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-20190099342-A1 COOLING PRODUCT TRPA1, TRPV2, NISCH CA1 2904/4885CA2 737/4885CES2 326/4885
US-12629327-B2 Keratin-based hair straightening formulations, methods and systems KRT18, HCN4, COL14A1 CA1 455/4885CA2 154/4885CES2 2862/4885
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent TLR7, MYC, ERG28 CA1 4875/4885CA2 4525/4885CES2 2423/4885
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL RBP4, LRAT, RARB CA1 1939/4885CA2 1876/4885CES2 3801/4885
US-20100184816-A1 Method for Reducing the Phytotoxicity of Azoles on Dicotyledonous Plants by Adding Additives AS3MT, STS, IPMK CA1 198/4885CA2 9/4885CES2 2236/4885
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS PTGS2, PTGES2, PTGS1 CA1 1298/4885CA2 332/4885CES2 724/4885

“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.