SCHEMBL587191

SCHEMBL587191

CCCCCC(CCCCC)(C(=O)[O-])C(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.40

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
CA1 known ✓ P00915 3/20 0.40
CA2 known ✓ P00918 2/20 0.39
NFKB1 P19838 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GPR84 Q9NQS5 1/20 0.33
TP53 P04637 1/20 0.33
CES2 O00748 1/20 0.32

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 0.98 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL9651092 0.98 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL626430 0.98 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL7096164 0.98 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL7095267 0.98 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL7098222 0.98 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL7098262 0.98 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL7100030 0.98 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL223461 0.98 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL7207850 0.98 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673417-B1 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS KEMIRA OYJ (FI) 2016-02-24 EP claimed
WO-2011065855-A1 \"BIOCOMPOSTABLE POLYMER BLENDS\ CABOPOL - INDÚSTRIA DE COMPOSTOS, S.A. (PT) 2011-06-03 WO 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
US-7758684-B2 Ink additive and ink using same NISSIN CHEMICAL INDUSTRY CO., LTD. (JP) 2010-07-20 US claimed
EP-1982712-A1 PHARMACEUTICAL FORMULATIONS IN THE FORM OF SOLIDS, SEMISOLIDS, IN SUSPENSION, IN SOLUTION, IN EMULSION OR IN SYRUP, CONTAINING CLINDAMYCIN AND ONE OR MORE MEMBERS OF THE AZOLE FAMILY WORLD-TRADE IMPORT-EXPORT, WTIE, A.G. (CH) 2008-10-22 EP claimed
EP-1935424-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING COMBINED ANTIDIABETIC SUBSTANCES FOR USE IN DIABETES MELLITUS ESPINOZA ABDALA, Leopoldo de Jesús (MX) 2008-06-25 EP claimed
US-7381332-B2 Solid-liquid separation of oil-based muds KEMIRA OYJ (FI) 2008-06-03 US claimed
EP-1913936-A1 SUBLINGUAL SOLID PHARMACEUTICAL FORMULATIONS CONTAINING MELOXICAM ESPINOZA ABDALA, Leopoldo de Jesús (MX) 2008-04-23 EP claimed
US-20070283845-A1 Ink additive and ink using same NISSIN CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-13 US claimed
US-7138079-B2 Methods for making foamed elastomer gels EDIZONE, LC (US) 2006-11-21 US claimed
EP-1673417-A2 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS Cytec Technology Corp. (US) 2006-06-28 EP claimed
US-20050222281-A1 Solid blowing agent preparations and process for their preparation LANXESS DEUTSCHLAND GMBH (DE) 2005-10-06 US claimed
US-20050222282-A1 Solid blowing agent preparations and process for their preparation LANXESS DEUTSCHLAND GMBH (DE) 2005-10-06 US claimed
WO-2005035934-A2 SOLID-LIQUID SEPARATION OF OIL-BASED MUDS CYTEC TECHNOLOGY CORP. (US) 2005-04-21 WO claimed
US-20050067194-A1 Solid-liquid separation of oil-based muds KEMIRA OYJ (FI) 2005-03-31 US claimed
US-20030236313-A1 Methods for making foamed elastomer gels EDIZONE, LC 2003-12-25 US claimed
US-6627108-B1 Salicylic acid, nitrilotriacetic acid, sodium hydroxide, n,n-di-secbutylaminophenol, polyalkylene methylpolysiloxane and water; efficient elemental sulfur recovery INSTITUT FRANCAIS DU PETROLE (FR) 2003-09-30 US claimed
US-6391953-B1 FATTY ACID METAL SALT AND ANTIAGGLOMERANT MIXTURE OF POLYSILOXANE AND MINERAL OIL BAYER AKTIENGESELLSCHAFT (DE) 2002-05-21 US claimed
US-6139764-A A BIODEGRADABLE COATING AGENT FOR COATING FIBERS, COMPRISING BIODEGRADABLE MINERAL OIL SUCH AS METAL SALT OF UNSATURATED OR UNDATURATED FATTY ACID HAVING SPECIFIC VISCOSITY, DENSITY AND VISCOSITY/DENSITY CONSTANT BAYER AKTIENGESELLSCHAFT (DE) 2000-10-31 US claimed
US-4985162-A SULFOSUCCINATE, NONIONIC SURFACTANT, ANTIFOAM AGENT WEN-DON CORPORATION (US) 1991-01-15 US claimed

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-20100184816-A1 Method for Reducing the Phytotoxicity of Azoles on Dicotyledonous Plants by Adding Additives AS3MT, STS, IPMK CA1 198/4885CA2 9/4885NFKB1 2762/4885

“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.