SCHEMBL5308757

SCHEMBL5308757

S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 14)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 2/20 1.00
CA1 known ✓ P00915 18/20 0.65
CA2 known ✓ P00918 18/20 0.65
CA12 known ✓ O43570 13/20 0.59
CA4 known ✓ P22748 2/20 0.40
ALDH1A1 P00352 1/20 0.87
CYP3A4 P08684 1/20 0.87
HPGD P15428 1/20 0.87
ALOX15 P16050 1/20 0.87
MAPK1 P28482 1/20 0.87
RECQL P46063 1/20 0.87
HSD17B10 Q99714 1/20 0.87
TDP1 Q9NUW8 1/20 0.87
CA9 Q16790 13/20 0.59

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
SCHEMBL137550 1.00 THRB (1.00) THRBALDH1A1CYP3A4HPGDALOX15
Water SCHEMBL28117119 0.97 THRB (0.93) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL9067544 0.97 THRB (0.93) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL11697836 0.93 THRB (0.87) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL11117831 0.93 THRB (0.87) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL3674278 0.93 THRB (0.87) THRBALDH1A1CYP3A4HPGDALOX15
Zinc Ion SCHEMBL8406612 0.93 THRB (1.00) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL11861989 0.93 THRB (0.87) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL11695725 0.93 THRB (0.87) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL20721 0.93 THRB (0.87) THRBALDH1A1CYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260049039-A1 MICROFIBRILLATED CELLULOSE AS RHEOLOGY MODIFIER IN HIGH IONIC STRENGTH AGRICULTURAL FORMULATIONS AMVAC CHEMICAL CORP (US) 2026-02-19 US disclosed
US-12378165-B2 Pesticide formulation comprising MFC as rheology modifier AMVAC CHEMICAL CORPORATION (US) 2025-08-05 US disclosed
US-20250128993-A1 AGRICULTURAL ADJUVANT COMPRISING MICROFIBRILLATED CELLULOSE AMVAC CHEMICAL CORPORATION 2025-04-24 US disclosed
US-12049431-B2 Agricultural adjuvant comprising microfibrillated cellulose AMVAC Chemical Corporation (Subsidiary of American Vanguard Corporation) (US) 2024-07-30 US disclosed
US-20230079931-A1 MICROFIBRILLATED CELLULOSE AS RHEOLOGY MODIFIER IN HIGH IONIC STRENGTH AGRICULTURAL FORMULATIONS AMVAC CHEMICAL CORP (US) 2023-03-16 US disclosed
WO-2007038524-A2 COCRYSTALLIZATION METHODS SSCI, INC. (US) 2007-04-05 WO disclosed
US-6680065-B2 FOR TREATMENT OF WOODY PLANTS; EMPLOYED IN HOLLOW PREFORMED IN THE WOODY PLANT BAYER AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
US-6528079-B2 For treatment of woody plants; employed in a hollow preformed in the woody plant BAYER AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
US-20020061323-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2002-05-23 US disclosed
US-20010039248-A1 Shaped bodies which release agrochemical active substances PODSZUN WOLFGANG (DE) 2001-11-08 US disclosed
EP-0564945-B1 A method of controlling harmful insects BAYER AGROCHEM KK (JP) 2001-01-24 EP disclosed
US-6063393-A RODS OR PINS TO BE PRESSED INTO PLANTS NIHON BAYER AGROCHEM K.K. (JP) 2000-05-16 US disclosed
EP-0564945-A1 A method of controlling harmful insects NIHON BAYER AGROCHEM K.K. (JP) 1993-10-13 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-20260049039-A1 MICROFIBRILLATED CELLULOSE AS RHEOLOGY MODIFIER IN HIGH IONIC STRENGTH AGRICULTURAL FORMULATIONS FIBP, GHDC, MASTL THRB 3753/4885CA1 2612/4885CA2 593/4885
US-20020061323-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES AGL, CHMP4B, GUSB THRB 4127/4885CA1 1500/4885CA2 2110/4885
US-12378165-B2 Pesticide formulation comprising MFC as rheology modifier MFAP1, PFAS, DDT THRB 4851/4885CA1 2689/4885CA2 1934/4885
US-20010039248-A1 Shaped bodies which release agrochemical active substances AGL, CHMP4B, GUSB THRB 4137/4885CA1 1473/4885CA2 2095/4885

“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.