SCHEMBL10938620

SCHEMBL10938620

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

nearest known ligand 0.43

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 0.39
▸ CA1 known ✓ P00915 1/20 0.39
▸ CA2 known ✓ P00918 1/20 0.39
▸ THRB known ✓ P10828 1/20 0.34
▸ PTGS2 known ✓ P35354 1/20 0.34
▸ FPR2 P25090 1/20 0.43
▸ NOD1 Q9Y239 3/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ AKR1A1 P14550 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA9 Q16790 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
Potassium Ion SCHEMBL10934871 0.96 CA12 (0.44) FPR2NOD1CHRM1AKR1A1CHRM3
SCHEMBL10933041 0.84 CA12 (0.47) NOD1CA12CA1CA2CA9
SCHEMBL12291691 0.82 FPR2 (0.46) FPR2NOD1CHRM1AKR1A1CHRM3
SCHEMBL7641648 0.80 FPR2 (0.45) FPR2NOD1CHRM1AKR1A1CHRM3
Lithium Ion SCHEMBL10935110 0.80 CA12 (0.47) NOD1CA12CA1CA2CA9
SCHEMBL10146967 0.77 FPR2 (0.49) FPR2NOD1CHRM1AKR1A1CHRM3
SCHEMBL28688352 0.77 FPR2 (0.43) FPR2NOD1CHRM1AKR1A1CHRM3
SCHEMBL28676083 0.77 FPR2 (0.43) FPR2NOD1CHRM1AKR1A1CHRM3
SCHEMBL28688354 0.77 FPR2 (0.40) FPR2NOD1CHRM1AKR1A1CHRM3
SCHEMBL16748603 0.75 MAPT (0.59) FPR2NOD1CHRM1AKR1A1CHRM3

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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