SCHEMBL1937408

SCHEMBL1937408

O=S(=O)([O-])Oc1ccccc1O.[Na+]

nearest known ligand 0.51

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
CA1 known ✓ P00915 3/20 0.45
CA2 known ✓ P00918 3/20 0.45
CA12 known ✓ O43570 2/20 0.44
ESR2 known ✓ Q92731 2/20 0.42
CA4 known ✓ P22748 1/20 0.36
PTGS2 known ✓ P35354 1/20 0.36
HSD11B1 P28845 1/20 0.51
HSD17B3 P37058 1/20 0.51
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.45
CA14 Q9ULX7 2/20 0.44
CA7 P43166 1/20 0.44
GAA P10253 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ESR1 P03372 2/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
JAK2 O60674 1/20 0.42
KDM4E B2RXH2 3/20 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
SCHEMBL4094195 0.84 ELANE (0.40) HSD11B1HSD17B3CA1CA2CA12
SCHEMBL7156677 0.82 ESR1 (0.62) GAAKMT2AMEN1ESR1ESR2
SCHEMBL28100659 0.80 HSD11B1 (0.51) HSD11B1HSD17B3CA1CA2TP53
SCHEMBL7158425 0.80 KMT2A (0.41) HSD11B1HSD17B3TP53GAAKMT2A
SCHEMBL7159703 0.79 GAA (0.50) TP53GAAKMT2AMEN1ESR1
SCHEMBL235067 0.78 HSD11B1 (0.50) HSD11B1HSD17B3CA1CA2TP53
SCHEMBL1075941 0.78 CA1 (0.52) HSD11B1HSD17B3CA1CA2TP53
SCHEMBL29382842 0.78 HSD11B1 (0.50) HSD11B1HSD17B3CA1CA2TP53
SCHEMBL2001002 0.77 HSD11B1 (0.53) HSD11B1HSD17B3CA1CA2TP53
SCHEMBL9541027 0.77 HSD11B1 (0.49) HSD11B1HSD17B3CA1CA2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11835532-B2 Green concentrated reagent for hemotology systems BECKMAN COULTER, INC. (US) 2023-12-05 US disclosed
EP-3794346-B1 GREEN CONCENTRATED REAGENT FOR HEMATOLOGY SYSTEMS BECKMAN COULTER INC (US) 2023-03-08 EP disclosed
US-20230047876-A1 GREEN CONCENTRATED REAGENT FOR HEMOTOLOGY SYSTEMS BECKMAN COULTER, INC. 2023-02-16 US disclosed
US-11519921-B2 Green concentrated reagent for hematology systems BECKMAN COULTER, INC. (US) 2022-12-06 US disclosed
US-20210231687-A1 GREEN CONCENTRATED REAGENT FOR HEMATOLOGY SYSTEMS BECKMAN COULTER, INC. 2021-07-29 US disclosed
EP-3794346-A1 GREEN CONCENTRATED REAGENT FOR HEMATOLOGY SYSTEMS Beckman Coulter, Inc. (US) 2021-03-24 EP disclosed
CN-112166322-A Green concentrated reagent for hematology system 拜克门寇尔特公司 2021-01-01 CN disclosed
US-20110268818-A1 NGAL-BINDING SIDEROPHORES AND USE THEREOF TO TREAT IRON DEFICIENCY AND IRON OVERLOAD NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-11-03 US disclosed
EP-2330897-A1 NGAL-BINDING SIDEROPHORES AND USE THEREOF TO TREAT IRON DEFICIENCY AND IRON OVERLOAD The Trustees of Columbia University in the City of New York (US) 2011-06-15 EP disclosed
WO-2010033847-A1 NGAL-BINDING SIDEROPHORES AND USE THEREOF TO TREAT IRON DEFICIENCY AND IRON OVERLOAD THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-03-25 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-20110268818-A1 NGAL-BINDING SIDEROPHORES AND USE THEREOF TO TREAT IRON DEFICIENCY AND IRON OVERLOAD SLC40A1, HAMP, TFRC CA1 2702/4885CA2 1383/4885CA12 1332/4885

“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.