SCHEMBL7368026

SCHEMBL7368026

CCCCOc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.68

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 0.68
CA1 known ✓ P00915 4/20 0.68
CA2 known ✓ P00918 4/20 0.68
CA9 Q16790 4/20 0.68
TSHR P16473 4/20 0.68
CA7 P43166 3/20 0.68
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MMP1 P03956 2/20 0.51
ADAMTS4 O75173 1/20 0.51
MMP2 P08253 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
LMNA P02545 3/20 0.50

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
SCHEMBL3266551 0.95 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL8421760 0.95 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL10950170 0.95 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL8570743 0.95 TSHR (0.62) CA12CA1CA2CA9TSHR
SCHEMBL38665923 0.88 CA12 (0.52) CA12CA1CA2CA9TSHR
SCHEMBL31120917 0.84 CA12 (0.54) CA12CA1CA2CA9TSHR
SCHEMBL930267 0.84 CA12 (0.72) CA12CA1CA2CA9TSHR
SCHEMBL28109374 0.84 CA12 (0.66) CA12CA1CA2CA9TSHR
SCHEMBL6428986 0.84 NR1I2 (0.53) CA12CA1CA2CA9TSHR
Potassium Ion SCHEMBL10497546 0.83 TSHR (0.53) CA12CA1CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252143-A1 METHOD FOR PREPARING ALPHA-SULFONYL HYDROXAMIC ACID DERIVATIVES American Cyanamid Company (US) 2002-10-30 EP disclosed
US-20020099035-A1 Method for preparing alpha-sulfonyl hydroxamic acid derivatives WYETH HOLDINGS CORPORATION 2002-07-25 US disclosed
WO-2001055112-A1 METHOD FOR PREPARING ALPHA-SULFONYL HYDROXAMIC ACID DERIVATIVES AMERICAN CYANAMID COMPANY (US) 2001-08-02 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 (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-20020099035-A1 Method for preparing alpha-sulfonyl hydroxamic acid derivatives MMP25, ADAMTS5, MMP9 CA12 1563/4885CA1 433/4885CA2 711/4885

“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.