SCHEMBL3767155

SCHEMBL3767155

S=C([S-])N(c1ccccc1)c1ccccc1.[Na+]

nearest known ligand 0.61

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 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 5/20 0.61
CA1 known ✓ P00915 5/20 0.61
CA2 known ✓ P00918 5/20 0.61
CA9 Q16790 5/20 0.61
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MEN1 O00255 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 2/20 0.48
MGLL Q99685 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
FAAH O00519 1/20 0.40
PHGDH O43175 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL11427350 0.95 ALDH1A1 (0.56) CA12CA1CA2CA9ALDH1A1
Zinc Ion SCHEMBL211371 0.95 ALDH1A1 (0.56) CA12CA1CA2CA9ALDH1A1
Potassium Ion SCHEMBL9356280 0.95 ALDH1A1 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL11116438 0.95 ALDH1A1 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL16628499 0.95 ALDH1A1 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL4384485 0.95 ALDH1A1 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL4384482 0.95 ALDH1A1 (0.62) CA12CA1CA2CA9ALDH1A1
SCHEMBL2045517 0.95 ALDH1A1 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL11119859 0.95 ALDH1A1 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL28491092 0.95 ALDH1A1 (0.56) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119368337-A Copper-molybdenum collector and preparation method and application thereof 昆明冶金研究院有限公司 2025-01-28 CN disclosed
WO-2024070750-A1 METHOD FOR PRODUCING DIP-FORMED OBJECT, AND DIP-FORMED OBJECT 住友精化株式会社 2024-04-04 WO disclosed
WO-2024061218-A1 ORGANIC POLYSULFIDE, PREPARATION METHOD AND USE THEREOF JIANGSU CHEESHINE PERFORMANCE MATERIALS CO., LTD. (CN) 2024-03-28 WO disclosed
CN-114874499-B Graphene oxide loaded rare earth vulcanization accelerator and preparation method thereof 北京化工大学 2023-05-26 CN disclosed
CN-111621773-B Application of dithiocarbamate compounds in chemical palladium plating and chemical palladium plating composition 广东东硕科技有限公司 2022-08-16 CN disclosed
CN-114874499-A Graphene oxide loaded rare earth vulcanization accelerator and preparation method thereof 北京化工大学 2022-08-09 CN disclosed
CN-111621773-A Application of dithiocarbamate compounds in chemical palladium plating and chemical palladium plating composition 广东东硕科技有限公司 2020-09-04 CN disclosed
EP-2860170-B1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL IND LTD (JP) 2019-08-28 EP disclosed
US-9670129-B2 Process for preparing 4-hydroxybutyl acrylate OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-06-06 US disclosed
US-20150126766-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2015-05-07 US disclosed
US-20030120101-A1 S-(alpha, alpha'-disubstituted-alpha' '-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom LUBRIZOL ADVANCED MATERIALS, INC. 2003-06-26 US disclosed
EP-0856031-B1 CURING SYSTEMS FOR HALOGENATED ELASTOMERS HAVING IMPROVED HIGH TEMPERATURE COMPRESSION SET EXXONMOBIL CHEM PATENTS INC (US) 2003-03-26 EP disclosed
EP-0856031-A1 CURING SYSTEMS FOR HALOGENATED ELASTOMERS HAVING IMPROVED HIGH TEMPERATURE COMPRESSION SET EXXON CHEMICAL PATENTS INC. (US) 1998-08-05 EP disclosed
WO-1997014748-A1 CURING SYSTEMS FOR HALOGENATED ELASTOMERS HAVING IMPROVED HIGH TEMPERATURE COMPRESSION SET EXXON CHEMICAL PATENTS INC. (US) 1997-04-24 WO disclosed
EP-0416321-B1 Crystalline polyolefin composition CHISSO CORP (JP) 1994-11-09 EP disclosed
US-5063264-A Molding materials CHISSO CORPORATION (JP) 1991-11-05 US disclosed
EP-0416321-A1 Crystalline polyolefin composition Chisso Corporation (JP) 1991-03-13 EP disclosed
EP-0116989-A1 Process for removing heavy metals from aqueous media UNIE VAN KUNSTMESTFABRIEKEN B.V. (NL) 1984-08-29 EP disclosed
EP-0116988-A1 Process for removing heavy metals from aqueous media UNIE VAN KUNSTMESTFABRIEKEN B.V. (NL) 1984-08-29 EP disclosed
US-4018604-A METAL DITHIOCARBAMATES-DITHIOPHOSPHINATES TO PREVENT FOGGING HORIZONS INCORPORATED, A DIVISION OF HORIZONS RESEARCH INCORPORATED (US) 1977-04-19 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 (2 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-20030120101-A1 S-(alpha, alpha'-disubstituted-alpha' '-acetic acid) substituted dithiocarbonate derivatives for controlled radical polymerizations, process and polymers made therefrom TST, SRM, ACMSD CA12 1776/4885CA1 1482/4885CA2 1854/4885
US-20150126766-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE LTB4R2, LTA4H, LTB4R CA12 4614/4885CA1 4540/4885CA2 4547/4885

“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.