SCHEMBL2520063

SCHEMBL2520063

CCCCCCCCCCCCCCCCP(=O)([O-])[O-].[Na+].[Na+]

nearest known ligand 0.54

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 5)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.54
LPAR2 Q9HBW0 1/20 0.54
TRPM8 Q7Z2W7 10/20 0.50
FAAH O00519 1/20 0.46
TSHR P16473 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
SCHEMBL28941733 1.00 LPAR3 (0.54) LPAR3LPAR2TRPM8FAAHTSHR
SCHEMBL3823293 1.00 LPAR3 (0.54) LPAR3LPAR2TRPM8FAAHTSHR
SCHEMBL11474038 1.00 LPAR3 (0.54) LPAR3LPAR2TRPM8FAAHTSHR
SCHEMBL4344879 1.00 LPAR3 (0.54) LPAR3LPAR2TRPM8FAAHTSHR
SCHEMBL11472543 1.00 LPAR3 (0.54) LPAR3LPAR2TRPM8FAAHTSHR
SCHEMBL23037447 1.00 LPAR3 (0.54) LPAR3LPAR2TRPM8FAAHTSHR
SCHEMBL2539498 0.97 LPAR3 (0.50) LPAR3LPAR2TRPM8FAAH
SCHEMBL23534093 0.95 LPAR3 (0.54) LPAR3LPAR2TRPM8FAAHTSHR
SCHEMBL23534085 0.95 LPAR3 (0.54) LPAR3LPAR2TRPM8FAAHTSHR
SCHEMBL23534083 0.95 LPAR3 (0.54) LPAR3LPAR2TRPM8FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423786-B Compounds which can be crosslinked by hydrosilylation 瓦克化学股份公司 2022-09-23 CN disclosed
EP-3911708-B1 COMPOUNDS THAT CAN BE CROSSLINKED BY WAY OF HYDROSILYLATION REACTION WACKER CHEMIE AG (DE) 2022-06-15 EP disclosed
CN-113423786-A Compounds which can be crosslinked by hydrosilylation 瓦克化学股份公司 2021-09-21 CN disclosed
US-9018413-B2 Method for the production of alkylphosphonic acids, esters, and salts by oxidizing alkylphosphonous acids, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-04-28 US disclosed
US-20110251314-A1 Method for the Production of Alkylphosphonic Acids, Esters, and Salts by Oxidizing Alkylphosphonous Acids, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-13 US disclosed
EP-2100916-A1 Acid scavenger compositions Clariant International Ltd. (CH) 2009-09-16 EP 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-20110251314-A1 Method for the Production of Alkylphosphonic Acids, Esters, and Salts by Oxidizing Alkylphosphonous Acids, and Use Thereof ACSL3, SCO2, HAO2 LPAR3 128/4885LPAR2 139/4885TRPM8 2763/4885

“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.