SCHEMBL1542052

SCHEMBL1542052

O=P([O-])([O-])C(F)(F)F.[Na+].[Na+]

nearest known ligand 0.35

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
KDM4E B2RXH2 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.33
SLC34A1 Q06495 1/20 0.31

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
SCHEMBL17748719 0.74 KDM4E (0.30) KDM4ECYP2C19KMT2A
SCHEMBL16445125 0.72
SCHEMBL16445122 0.72
Lithium Ion SCHEMBL5084365 0.72
SCHEMBL1615261 0.67 LMNA (0.40) KDM4ECYP2C19KMT2ALMNASLC34A1
SCHEMBL576812 0.67
SCHEMBL9138380 0.67 LMNA (0.40) KDM4ECYP2C19KMT2ALMNASLC34A1
SCHEMBL3799586 0.67 LMNA (0.40) KDM4ECYP2C19KMT2ALMNASLC34A1
Sodium Monofluorophosphate SCHEMBL93758 0.67
SCHEMBL16758689 0.67 LMNA (0.40) KDM4ECYP2C19KMT2ALMNASLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303899-B1 PROCESS FOR PREPARING BIS(FLUOROALKYL)PHOSPHINIC ACID OR FLUOROALKYLPHOSPHONIC ACID MERCK PATENT GMBH (DE) 2014-09-24 EP disclosed
US-20110130589-A1 PROCESS FOR THE PREPARATION OF BIS(FLUOROALKYL)PHOSPHINIC ACID OR FLUOROALKYLPHOSPHONIC ACID MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 US disclosed
EP-2303899-A1 PROCESS FOR PREPARING BIS(FLUOROALKYL)PHOSPHINIC ACID OR FLUOROALKYLPHOSPHONIC ACID Merck Patent GmbH (DE) 2011-04-06 EP disclosed
WO-2010012359-A1 PROCESS FOR PREPARING BIS(FLUOROALKYL)PHOSPHINIC ACID OR FLUOROALKYLPHOSPHONIC ACID MERCK PATENT GMBH (DE) 2010-02-04 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-20110130589-A1 PROCESS FOR THE PREPARATION OF BIS(FLUOROALKYL)PHOSPHINIC ACID OR FLUOROALKYLPHOSPHONIC ACID PHOSPHO1, PPIP5K2, PTEN KDM4E 3928/4885CYP2C19 2137/4885KMT2A 3129/4885

“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.