SCHEMBL1403310

SCHEMBL1403310

COC(=O)CCCCCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.52

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 4/20 0.42
CA2 known ✓ P00918 2/20 0.41
CA1 known ✓ P00915 1/20 0.38
CA4 known ✓ P22748 1/20 0.38
TSHR P16473 4/20 0.52
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CA14 Q9ULX7 4/20 0.42
EPHX2 P34913 2/20 0.42
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
KMT2A Q03164 1/20 0.40
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
HBB P68871 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA3 P07451 1/20 0.38

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
SCHEMBL1403319 1.00 TSHR (0.52) TSHRLMNAALDH1A1CA12CA14
SCHEMBL30200783 1.00 TSHR (0.52) TSHRLMNAALDH1A1CA12CA14
SCHEMBL10783337 0.84 LMNA (0.41) TSHRLMNAALDH1A1CA12EPHX2
SCHEMBL1736044 0.84 TSHR (0.52) TSHRLMNAALDH1A1CA12CA14
SCHEMBL10783342 0.82 GMNN (0.40) TSHRLMNAALDH1A1CA12EPHX2
SCHEMBL31299708 0.81 CYP1A2 (0.48) TSHRALDH1A1EPHX2KMT2AL3MBTL1
SCHEMBL1403492 0.81 CYP1A2 (0.48) TSHRALDH1A1EPHX2KMT2AL3MBTL1
Sulfuric Acid SCHEMBL28704996 0.81 CA12 (0.57) TSHRLMNAALDH1A1CA12CA14
SCHEMBL9955449 0.80 TSHR (0.56) TSHRLMNAALDH1A1CA12CA14
SCHEMBL13762658 0.80 TSHR (0.56) TSHRLMNAALDH1A1CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292593-A2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2011-03-09 EP disclosed
US-7557140-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-07-07 US disclosed
US-7407988-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-08-05 US disclosed
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-07-03 US disclosed
US-7183298-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2007-02-27 US disclosed
US-20070004806-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2007-01-04 US disclosed
US-20050107445-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors PROLIFIX LIMITED (GB) 2005-05-19 US disclosed
US-6888027-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2005-05-03 US disclosed
US-20050085515-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPO TARGET UK LIMITED, (GB) 2005-04-21 US disclosed
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors SWK FUNDING LLC 2004-04-22 US disclosed
EP-1328510-A2 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LTD. (GB) 2003-07-23 EP disclosed
WO-2002030879-A2 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-18 WO 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 (5 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-20050107445-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 CA12 1222/4885CA2 266/4885CA1 297/4885
US-20070004806-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 CA12 1222/4885CA2 266/4885CA1 297/4885
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 CA12 1222/4885CA2 266/4885CA1 297/4885
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors HDAC1, HDAC11, HDAC2 CA12 1014/4885CA2 246/4885CA1 323/4885
US-20050085515-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 CA12 1222/4885CA2 266/4885CA1 297/4885

“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.