SCHEMBL29569488

SCHEMBL29569488

O=S(=O)([O-])c1ccc(O)c2ccccc12.[Na+]

nearest known ligand 0.66

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
THRB known ✓ P10828 1/20 0.55
PTGS1 known ✓ P23219 1/20 0.46
LDHA P00338 1/20 0.66
IDO1 P14902 3/20 0.52
NR4A1 P22736 1/20 0.51
CDK2 P24941 1/20 0.50
PKLR P30613 1/20 0.47
EP300 Q09472 3/20 0.44
KAT2B Q92831 3/20 0.44
KAT8 Q9H7Z6 3/20 0.44
CTSB P07858 1/20 0.44
HKDC1 Q2TB90 2/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
POLB P06746 1/20 0.42
APOBEC3A P31941 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL125082 1.00 LDHA (0.66) LDHATHRBIDO1NR4A1CDK2
Water SCHEMBL4075590 0.98 LDHA (0.63) LDHATHRBIDO1NR4A1CDK2
Potassium Ion SCHEMBL30872336 0.96 LDHA (0.66) LDHATHRBIDO1NR4A1CDK2
SCHEMBL38666075 0.88 CDK2 (0.66) LDHATHRBIDO1NR4A1CDK2
SCHEMBL4078820 0.88 CDK2 (0.66) LDHATHRBIDO1NR4A1CDK2
SCHEMBL7085229 0.81 LDHA (0.73) LDHAIDO1CDK2EP300KAT2B
SCHEMBL10903976 0.81 NR4A1 (0.71) LDHATHRBNR4A1CDK2PKLR
Tetrabuthylammonium SCHEMBL16412173 0.80 LDHA (0.47) LDHATHRBIDO1NR4A1CDK2
SCHEMBL249254 0.79 LDHA (0.70) LDHAIDO1CDK2EP300KAT2B
SCHEMBL1805457 0.79 LDHA (1.00) LDHAIDO1CDK2EP300KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119764505-A Negative electrode electrolyte, preparation method and all-iron flow battery 天津力神新能源科技有限公司 2025-04-04 CN claimed
CN-115449017-B Star polymer filtrate reducer and preparation method thereof 山东诺尔生物科技有限公司 2023-08-15 CN claimed
CN-119764505-A Negative electrode electrolyte, preparation method and all-iron flow battery 天津力神新能源科技有限公司 2025-04-04 CN disclosed
US-20240151717-A1 DELAY PROCESS TO PROVIDE TIMED CHEMISTRY TO LATERAL-FLOW IMMUNOASSAYS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE NAVY 2024-05-09 US disclosed
US-11885801-B2 Delay process to provide timed chemistry to lateral-flow immunoassays THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2024-01-30 US disclosed
CN-115449017-B Star polymer filtrate reducer and preparation method thereof 山东诺尔生物科技有限公司 2023-08-15 CN disclosed
EP-4143171-A1 SELF-TANNING COMPOSITIONS CONTAINING AN AROMATIC SULFONATE AND METHODS THEREOF Kao Corporation (JP) 2023-03-08 EP disclosed
US-11543354-B2 Quantitative detection of non-fluorine anti-soil using a fluorescent trace indicator TARKETT USA INC. (US) 2023-01-03 US disclosed
US-20220057389-A1 DELAY PROCESS TO PROVIDE TIMED CHEMISTRY TO LATERAL-FLOW IMMUNOASSAYS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE NAVY 2022-02-24 US 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-11543354-B2 Quantitative detection of non-fluorine anti-soil using a fluorescent trace indicator AFF2, AFF1, AFF4 THRB 4526/4885PTGS1 3258/4885LDHA 4724/4885

“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.