SCHEMBL5437520

SCHEMBL5437520

O=P([O-])(OCc1ccccc1)OCc1ccccc1.[Na+]

nearest known ligand 0.61

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 1/20 0.41
CA2 known ✓ P00918 1/20 0.41
TSHR P16473 2/20 0.61
FUCA1 P04066 1/20 0.52
CETP P11597 3/20 0.46
IDO1 P14902 1/20 0.43
SRC P12931 1/20 0.42
PDPK1 O15530 1/20 0.42
MTOR P42345 1/20 0.42
ALPG P10696 1/20 0.42
PTK2B Q14289 1/20 0.42
AGXT P21549 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CA9 Q16790 1/20 0.41
FOLH1 Q04609 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40

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
SCHEMBL28669438 1.00 TSHR (0.61) TSHRFUCA1CETPIDO1SRC
Zinc Ion SCHEMBL28032526 0.96 TSHR (0.61) TSHRFUCA1CETPIDO1SRC
Silver SCHEMBL216224 0.96 TSHR (0.61) TSHRFUCA1CETPIDO1SRC
SCHEMBL10689581 0.96 TSHR (0.61) TSHRFUCA1CETPIDO1SRC
SCHEMBL11756561 0.96 TSHR (0.61) TSHRFUCA1CETPIDO1SRC
Potassium Ion SCHEMBL4956047 0.96 TSHR (0.61) TSHRFUCA1CETPIDO1SRC
Lithium Ion SCHEMBL9446519 0.96 TSHR (0.61) TSHRFUCA1CETPIDO1SRC
SCHEMBL7861818 0.96 TSHR (0.61) TSHRFUCA1CETPIDO1SRC
Tetramethylammonium Ion SCHEMBL9937868 0.90 TSHR (0.55) TSHRFUCA1CETPIDO1SRC
SCHEMBL11741735 0.89 TSHR (0.63) TSHRFUCA1CETPIDO1SRC

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403624-B Diaryl thiohydantoin compound and preparation method and application thereof 上海应用技术大学 2024-08-27 CN claimed
US-11814405-B2 Pyridine sulfonamide phosphate compound, preparation method therefor, and use thereof Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2023-11-14 US claimed
CN-115403624-A Diaryl thiohydantoin compound and preparation method and application thereof 上海应用技术大学 2022-11-29 CN claimed
EP-1669365-A1 Method for preparing enzymatic substrate analogs as inhibitors of bacterial heptosyl-transferases Mutabilis SA (FR) 2006-06-14 EP claimed
WO-2006058796-A2 METHODS FOR PREPARING ENZYMATIC SUBSTRATE ANALOGS USEFUL AS INHIBITORS OF BACTERIAL HEPTOSYL-TRANSFERASES AND BIOLOGICAL APPLICATIONS OF THE INHIBITORS MUTABILIS SA (FR) 2006-06-08 WO claimed
EP-0900227-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF DIESTERS OF PHOSPHORIC ACID 2,5-DIOXO-4,4-DIPHENYL-IMIDAZOLIDIN-1-YLMETHYL ESTER WARNER LAMBERT CO (US) 2001-12-12 EP claimed
US-6022975-A Process for the synthesis of diesters of phosphoric acid 2,5-dioxo-4,4-diphenyl-imidazolidin-1-ylmethyl ester WARNER-LAMBERT COMPANY (US) 2000-02-08 US claimed
EP-0900227-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF DIESTERS OF PHOSPHORIC ACID 2,5-DIOXO-4,4-DIPHENYL-IMIDAZOLIDIN-1-YLMETHYL ESTER WARNER-LAMBERT COMPANY (US) 1999-03-10 EP claimed
WO-1997041132-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF DIESTERS OF PHOSPHORIC ACID 2,5-DIOXO-4,4-DIPHENYL-IMIDAZOLIDIN-1-YLMETHYL ESTER WARNER-LAMBERT COMPANY (US) 1997-11-06 WO claimed
CN-119528984-A Preparation method of fosphenytoin sodium 广安凯特制药有限公司 2025-02-28 CN disclosed
CN-114380859-B Preparation method of dibenzyl phosphate and tetrabenzyl pyrophosphate 威智医药股份有限公司 2024-11-01 CN disclosed
CN-115403624-B Diaryl thiohydantoin compound and preparation method and application thereof 上海应用技术大学 2024-08-27 CN disclosed
US-11814405-B2 Pyridine sulfonamide phosphate compound, preparation method therefor, and use thereof Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2023-11-14 US disclosed
CN-114685561-B Preparation method of fosphenytoin sodium intermediate 四川科瑞德制药股份有限公司 2023-10-31 CN disclosed
US-6255492-B1 CHEMICAL INTERMEDIATES IN PRODUCTION OF 5,5-DIPHENYL-((3-PHOSPHONOOXY)METHYL)-2,4-IMIDAZOLIDINEDIONE DISODIUM SALT; USEFUL AS ANTICONVULSANT, ANTIEPILEPTIC, AND ANTIARRHYTHMIC AGENTS WARNER-LAMBERT COMPANY 2001-07-03 US disclosed
CN-1051315-C Phosphonooxymethyl ethers of taxane derivatives BRISTOL MYERS SQUIBB CO (US) 2000-04-12 CN disclosed
US-6022975-A Process for the synthesis of diesters of phosphoric acid 2,5-dioxo-4,4-diphenyl-imidazolidin-1-ylmethyl ester WARNER-LAMBERT COMPANY (US) 2000-02-08 US disclosed
EP-0900227-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF DIESTERS OF PHOSPHORIC ACID 2,5-DIOXO-4,4-DIPHENYL-IMIDAZOLIDIN-1-YLMETHYL ESTER WARNER-LAMBERT COMPANY (US) 1999-03-10 EP disclosed
WO-1997041132-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF DIESTERS OF PHOSPHORIC ACID 2,5-DIOXO-4,4-DIPHENYL-IMIDAZOLIDIN-1-YLMETHYL ESTER WARNER-LAMBERT COMPANY (US) 1997-11-06 WO disclosed
CN-1111637-A Phosphonooxymethyl ethers of taxane derivatives BRISTOL MYERS SQUIBB CO (US) 1995-11-15 CN 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-11814405-B2 Pyridine sulfonamide phosphate compound, preparation method therefor, and use thereof HASPIN, PPA1, PSTPIP2 CA1 2810/4885CA2 1136/4885TSHR 4353/4885

“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.