SCHEMBL223461

SCHEMBL223461

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C(=O)[O-])C(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.41

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 9)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.41
CA1 known ✓ P00915 2/20 0.39
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 1/20 0.33

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
SCHEMBL1283040 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL7207850 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL7098262 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL626430 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL7096164 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL7095267 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL7098222 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL9651092 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL7100030 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1
SCHEMBL472819 1.00 CA2 (0.41) CA2CA1CYP3A4TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4348954-A A POLYOXYALKYLENE ALKYLPHENYL ETHER NONIONIC SURFACTANT, AND A SODIUM DIALKYL SULFOSUCCINATE ANIONIC SURFACTANT FUJI PHOTO FILM CO., LTD. (JP) 1982-09-14 US claimed
US-4268613-A Agent for protecting the surface of lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1981-05-19 US claimed
US-12624312-B2 Fabric care composition with delivery particles THE PROCTER & GAMBLE COMPANY (US) 2026-05-12 US disclosed
US-12582956-B2 Articles of manufacture with polyurea capsules cross-linked with chitosan ENCAPSYS, LLC 2026-03-24 US disclosed
EP-3890685-B1 COMPOSITIONS COMPRISING BENEFIT AGENT CONTAINING DELIVERY PARTICLE ENCAPSYS LLC (US) 2026-03-11 EP disclosed
US-12564550-B2 Anti-dandruff composition MANE KANCOR INGREDIENTS PRIVATE LIMITED (IN) 2026-03-03 US disclosed
US-12558297-B2 Consumer product with controlled release, biodegradable core-shell microcapsule compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2026-02-24 US disclosed
US-20260028770-A1 SURFACE MODIFIED MICROCAPSULES INT FLAVORS & FRAGRANCES INC (US) 2026-01-29 US disclosed
US-12514794-B2 Microcapsules prepared from proteins INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2026-01-06 US disclosed
EP-4667651-A2 STABLE POLYUREA MICROCAPSULE COMPOSITIONS International Flavors and Fragrances Inc. (US) 2025-12-24 EP disclosed
EP-0369769-B1 LIQUID CHROMATOGRAPHY USING MICROPOROUS HOLLOW FIBERS HOECHST CELANESE CORPORATION (US) 1993-09-08 EP disclosed
US-4996135-A Applying water soluble starch modified with urea-phosphoric acid FUJI PHOTO FILM CO., LTD. (JP) 1991-02-26 US disclosed
US-4965328-A Preparation of paste forming vinyl chloride polymers with high pressure homogenization HUELS AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
US-4957620-A IMMOBILIZATION, INJECTION, ABSORPTION HOECHST CELANESE CORPORATION (US) 1990-09-18 US disclosed
EP-0369769-A2 Liquid chromatography using microporous hollow fibers HOECHST CELANESE CORPORATION (US) 1990-05-23 EP disclosed
EP-0366020-A2 Desensitizing gum lithographic plate finisher FUJI PHOTO FILM CO., LTD. (JP) 1990-05-02 EP disclosed
US-4710551-A BETTER HEAT STABILITY AND COLOR KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 1987-12-01 US disclosed
US-4348954-A A POLYOXYALKYLENE ALKYLPHENYL ETHER NONIONIC SURFACTANT, AND A SODIUM DIALKYL SULFOSUCCINATE ANIONIC SURFACTANT FUJI PHOTO FILM CO., LTD. (JP) 1982-09-14 US disclosed
US-4253999-A Agent for protecting the surface of lithographic printing plate comprising a plasticizer containing oil phase and a surfactant and a hydrophilic high molecular weight compound containing aqueous phase FUJI PHOTO FILM CO., LTD. (JP) 1981-03-03 US 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-12564550-B2 Anti-dandruff composition MDH1, IL17A, PPARD CA2 4392/4885CA1 4553/4885CYP3A4 1184/4885
US-12558297-B2 Consumer product with controlled release, biodegradable core-shell microcapsule compositions LCT, CUTA, LIPE CA2 963/4885CA1 1744/4885CYP3A4 2470/4885
US-12582956-B2 Articles of manufacture with polyurea capsules cross-linked with chitosan SMCHD1, CEL, PUF60 CA2 2659/4885CA1 2857/4885CYP3A4 1420/4885
US-20260028770-A1 SURFACE MODIFIED MICROCAPSULES CHRM5, TAS2R45, TAS2R42 CA2 3697/4885CA1 2833/4885CYP3A4 679/4885
US-20100184816-A1 Method for Reducing the Phytotoxicity of Azoles on Dicotyledonous Plants by Adding Additives AS3MT, STS, IPMK CA2 9/4885CA1 198/4885CYP3A4 122/4885
US-12624312-B2 Fabric care composition with delivery particles HDAC3, HACD3, EXOSC4 CA2 425/4885CA1 645/4885CYP3A4 3090/4885

“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.