SCHEMBL936638

SCHEMBL936638

CS(=O)(=O)Oc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.49

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
CA2 known ✓ P00918 5/20 0.40
CA12 known ✓ O43570 2/20 0.40
CA1 known ✓ P00915 2/20 0.38
MMP2 P08253 2/20 0.49
MMP7 P09237 2/20 0.49
MMP9 P14780 2/20 0.49
MMP14 P50281 2/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CA9 Q16790 3/20 0.39
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
HPGD P15428 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
SCHEMBL575589 0.83 CA2 (0.52) MMP2MMP7MMP9MMP14MMP1
SCHEMBL28670163 0.82 MMP2 (0.51) MMP2MMP7MMP9MMP14MMP1
SCHEMBL936021 0.78 MMP2 (0.49) MMP2MMP7MMP9MMP14MMP1
SCHEMBL5709618 0.78 MMP2 (0.49) MMP2MMP7MMP9MMP14MMP1
SCHEMBL10497942 0.77 PKM (0.67) MMP2MMP9MMP1MMP8ALDH1A1
SCHEMBL3675391 0.77 HTT (0.56) MMP2MMP7MMP9MMP14MMP1
SCHEMBL936636 0.77 MMP2 (0.47) MMP2MMP7MMP9MMP14MMP1
SCHEMBL9618168 0.77 PTGS2 (0.50) MMP2MMP7MMP9MMP14MMP1
SCHEMBL7690155 0.77 MMP2 (0.60) MMP2MMP7MMP9MMP14MMP1
SCHEMBL3838977 0.77 CA2 (0.58) MMP2MMP7MMP9MMP14MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX, LIMITED (GB) 2011-01-27 US disclosed
US-7763642-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LTD. (GB) 2010-07-27 US disclosed
EP-1753732-B1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LTD (GB) 2009-12-02 EP disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
EP-1753732-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS Sterix Limited (GB) 2007-02-21 EP disclosed
WO-2005118560-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2005-12-15 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 (2 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-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors CYP19A1, CYP17A1, CYP21A2 CA2 286/4885CA12 885/4885CA1 316/4885
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS CYP19A1, CYP17A1, CYP21A2 CA2 286/4885CA12 885/4885CA1 316/4885

“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.