SCHEMBL10933041

SCHEMBL10933041

CCC(NC(=S)[S-])C(=O)O.CCC(NC(=S)[S-])C(=O)O.[Na+].[Na+]

nearest known ligand 0.47

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 1/20 0.47
▸ CA1 known ✓ P00915 1/20 0.47
▸ CA2 known ✓ P00918 1/20 0.47
▸ THRB known ✓ P10828 1/20 0.36
▸ PTGS2 known ✓ P35354 1/20 0.36
▸ ACE known ✓ P12821 1/20 0.33
▸ CA9 Q16790 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 2/20 0.36
▸ MME P08473 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FOLH1 Q04609 4/20 0.35
▸ NAALAD2 Q9Y3Q0 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35

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
Lithium Ion SCHEMBL10935110 0.96 CA12 (0.47) CA12CA1CA2CA9POLB
SCHEMBL10938620 0.84 FPR2 (0.43) CA12CA1CA2CA9POLB
Potassium Ion SCHEMBL10934871 0.80 CA12 (0.44) CA12CA1CA2CA9POLB
SCHEMBL28686955 0.75 POLB (0.46) POLBMAPTMMEKDM4ETHRB
SCHEMBL28670626 0.75 POLB (0.46) POLBMAPTMMEKDM4ETHRB
SCHEMBL15328463 0.75 POLB (0.54) CA1CA2POLBMAPTMME
SCHEMBL27827362 0.75 POLB (0.44) POLBMAPTMMEKDM4ETHRB
SCHEMBL31410761 0.75 POLB (0.44) POLBMAPTMMEKDM4ETHRB
SCHEMBL28686957 0.75 POLB (0.43) CA1CA2POLBMAPTMME
SCHEMBL1704966 0.73 MAPT (0.64) POLBMAPTMMEKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4554108-A Alkali carboxyalkyl dithiocarbamates and use as ore flotation reagents PHILLIPS PETROLEUM COMPANY (US) 1985-11-19 — — US claimed
CN-110035829-B Depressant composition and method for depressing gangue sulfide minerals during flotation of sulfide ores 塞特工业公司 2021-12-24 — — CN disclosed
US-10710099-B2 Compositions and methods for selective separation of minerals from sulfide ores CYTEC INDUSTRIES INC. (US) 2020-07-14 — — US disclosed
US-20190336984-A1 COMPOSITIONS AND METHODS FOR SELECTIVE SEPARATION OF MINERALS FROM SULFIDE ORES CYTEC INDUSTRIES INC. (US) 2019-11-07 — — US disclosed
US-10369577-B2 Compositions and methods for selective separation of minerals from sulfide ores CYTEC INDUSTRIES INC. (US) 2019-08-06 — — US disclosed
US-20180099293-A1 COMPOSITIONS AND METHODS FOR SELECTIVE SEPARATION OF MINERALS FROM SULFIDE ORES CYTEC INDUSTRIES INC. 2018-04-12 — — US disclosed
US-4554068-A DITHIOCARBAMATES AS SUPPRESSANTS PHILLIPS PETROLEUM COMPANY (US) 1985-11-19 — — US disclosed
US-4554108-A Alkali carboxyalkyl dithiocarbamates and use as ore flotation reagents PHILLIPS PETROLEUM COMPANY (US) 1985-11-19 — — 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 (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-10369577-B2 Compositions and methods for selective separation of minerals from sulfide ores TST, CTH, PFAS CA12 506/4885CA1 67/4885CA2 46/4885
US-20190336984-A1 COMPOSITIONS AND METHODS FOR SELECTIVE SEPARATION OF MINERALS FROM SULFIDE ORES TST, CTH, PFAS CA12 506/4885CA1 67/4885CA2 46/4885
US-10710099-B2 Compositions and methods for selective separation of minerals from sulfide ores TST, CTH, PFAS CA12 506/4885CA1 67/4885CA2 46/4885
US-20180099293-A1 COMPOSITIONS AND METHODS FOR SELECTIVE SEPARATION OF MINERALS FROM SULFIDE ORES TST, CTH, PFAS CA12 506/4885CA1 67/4885CA2 46/4885

“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.

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