SCHEMBL6949459

SCHEMBL6949459

O=S(=O)([O-])c1ccc(OCc2ccc(F)cc2)cc1.[Na+]

nearest known ligand 0.71

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 3/20 0.71
CA1 known ✓ P00915 3/20 0.71
CA2 known ✓ P00918 3/20 0.71
CA4 known ✓ P22748 1/20 0.49
CA7 P43166 3/20 0.71
CA9 Q16790 3/20 0.71
MAOB P27338 7/20 0.57
APP P05067 1/20 0.57
PTPRZ1 P23471 1/20 0.57
AR P10275 1/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP14 P50281 1/20 0.56
ADAM17 P78536 1/20 0.56
NR4A2 P43354 1/20 0.55
PARP10 Q53GL7 1/20 0.54
RORC P51449 1/20 0.50
ADAMTS4 O75173 1/20 0.49
CA5A P35218 1/20 0.49

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
SCHEMBL5443121 0.83 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL1462243 0.83 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL6949461 0.82 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL27550091 0.82 MAOB (0.80) CA12CA1CA2CA7CA9
SCHEMBL7857590 0.78 SOS1 (0.66) CA12CA1CA2CA7CA9
SCHEMBL1306434 0.78 MMP2 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL22662767 0.77 AR (0.64) CA12CA1CA2CA7CA9
SCHEMBL5606537 0.77 MAOB (0.67) CA12CA1CA2CA7CA9
SCHEMBL4051544 0.77 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL18937890 0.76 MAOB (0.71) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181286-B1 3-(ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PROD INC (US) 2003-11-12 EP disclosed
EP-1181285-B1 3-(ARYLSULFONYLAMINO)-TETRAHYDROFURAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PROD INC (US) 2003-10-08 EP disclosed
EP-0977733-B1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER PROD INC (US) 2003-09-03 EP disclosed
US-6599890-B1 Inhibitors of matrix metalloproteinases or the production of tumor necrosis factor PFIZER INC 2003-07-29 US disclosed
EP-1070058-B1 (4-ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-4-CARBOXYLIC ACID HYDROXAMIDES PFIZER PROD INC (US) 2003-05-02 EP disclosed
EP-1181286-A1 3-(ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-3-CARBOXYLIC ACID HYDROXAMIDES Pfizer Products Inc. (US) 2002-02-27 EP disclosed
EP-1181285-A2 3-(ARYLSULFONYLAMINO)-TETRAHYDROFURAN-3-CARBOXYLIC ACID HYDROXAMIDES Pfizer Products Inc. (US) 2002-02-27 EP disclosed
US-6342521-B1 DRUGS FOR TREATMENT OF ARTHRITIS PFIZER INC. 2002-01-29 US disclosed
US-20020006920-A1 Arylsulfonylamino hydroxamic acid derivatives ROBINSON RALPH PELTON (US) 2002-01-17 US disclosed
US-6303636-B1 FOR THERAPY OF ARTHRITIS, CANCER, TISSUE ULCERATION, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCIERITIS, SEPSIS, SEPTIC SHOCK AND OTHER DISEASES INVOLVING THE PRODUCTION OF TUMOR NECROSIS FACTOR PFIZER INC 2001-10-16 US disclosed
US-6197810-B1 ANTIARTHRITIC AGENTS; ANTICANCE RAGENTS; ANTIINFLAMMATORY AGENTS PFIZER INC 2001-03-06 US disclosed
EP-1070058-A1 (4-ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-4-CARBOXYLIC ACID HYDROXAMIDES Pfizer Products Inc. (US) 2001-01-24 EP disclosed
WO-2000073295-A1 3-(ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PRODUCTS INC. (US) 2000-12-07 WO disclosed
WO-2000073294-A2 3-(ARYLSULFONYLAMINO)-TETRAHYDROFURAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PRODUCTS INC. (US) 2000-12-07 WO disclosed
US-6087392-A A METALLOPROTEINASE INHIBITORS FOR INHIBITING MAMMALIAN REPROLYSIN PFIZER INC. (US) 2000-07-11 US disclosed
EP-0977733-A1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES Pfizer Products Inc. (US) 2000-02-09 EP disclosed
EP-0960098-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1999-12-01 EP disclosed
WO-1999052889-A1 (4-ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-4-CARBOXYLIC ACID HYDROXAMIDES PFIZER PRODUCTS INC. (US) 1999-10-21 WO disclosed
WO-1998034918-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1998-08-13 WO disclosed
WO-1998033768-A1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-08-06 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-20020006920-A1 Arylsulfonylamino hydroxamic acid derivatives MMP8, MMP1, MMP10 CA12 3958/4885CA1 2612/4885CA2 2445/4885

“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.