SCHEMBL4405325

SCHEMBL4405325

CC(C)(C)NCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.35

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 7)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.35
CA2 known ✓ P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
BBOX1 O75936 1/20 0.30

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
SCHEMBL11682052 0.77 CA12 (0.31) CA12CA2CA9
SCHEMBL11682325 0.77 L3MBTL1 (0.33) CA12CA2CA9KDM4E
SCHEMBL11520455 0.77 CA12 (0.31) CA12CA2CA9
SCHEMBL4404057 0.75 BBOX1 (0.46) KDM4EMAPTALOX15BBOX1
SCHEMBL13672692 0.72
SCHEMBL4412450 0.72 GMNN (0.43) CA12CA9KDM4EMAPTALOX15
SCHEMBL13672698 0.70
SCHEMBL13672691 0.70
SCHEMBL11526263 0.70 CA12 (0.33) CA12CA2CA9
SCHEMBL11686152 0.70 CA12 (0.33) CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922389-B1 ABSORBENT COMPOSITION CONTAINING MOLECULES WITH A HINDERED AMINE AND A METAL SULFONATE STRUCTURE FOR ACID GAS SCRUBBING PROCESS EXXONMOBIL RES & ENG CO (US) 2019-02-20 EP disclosed
EP-2825286-A1 AMINE TREATING PROCESS FOR ACID GAS SEPARATION USING BLENDS OF AMINES AND ALKYLOXYAMINES ExxonMobil Research and Engineering Company (US) 2015-01-21 EP disclosed
WO-2013138443-A1 AMINE TREATING PROCESS FOR ACID GAS SEPARATION USING BLENDS OF AMINES AND ALKYLOXYAMINES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-09-19 WO disclosed
US-20130243676-A1 AMINE TREATING PROCESS FOR ACID GAS SEPARATION USING BLENDS OF AMINES AND ALKYLOXYAMINES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-09-19 US disclosed
US-8480795-B2 Absorbent composition containing molecules with a hindered amine and a metal sulfonate, phosphonate or carboxylate structure for acid gas scrubbing process EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-07-09 US disclosed
US-20090308248-A1 Absorbent composition containing molecules with a hindered amine and a metal sulfonate, phosphonate or carboxylate structure for acid gas scrubbing process SISKIN MICHAEL 2009-12-17 US disclosed
EP-1922389-A1 ABSORBENT COMPOSITION CONTAINING MOLECULES WITH A HINDERED AMINE AND A METAL SULFONATE, PHOSPHONATE OR CARBOXYLATE STRUCTURE FOR ACID GAS SCRUBBING PROCESS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2008-05-21 EP disclosed
WO-2007021531-A1 ABSORBENT COMPOSITION CONTAINING MOLECULES WITH A HINDERED AMINE AND A METAL SULFONATE, PHOSPHONATE OR CARBOXYLATE STRUCTURE FOR ACID GAS SCRUBBING PROCESS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2007-02-22 WO disclosed
EP-0315204-A2 Bleaching composition LION CORPORATION (JP) 1989-05-10 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 (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-20090308248-A1 Absorbent composition containing molecules with a hindered amine and a metal sulfonate, phosphonate or carboxylate structure for acid gas scrubbing process CBS, MPST, TST CA12 12/4885CA2 79/4885CA9 15/4885

“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.