SCHEMBL6027430

SCHEMBL6027430

O=C([O-])C1OC1c1ccccc1.[Na+]

nearest known ligand 0.60

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
CA2 known ✓ P00918 1/20 0.41
CA4 known ✓ P22748 1/20 0.41
EDNRA known ✓ P25101 1/20 0.35
EPHX1 P07099 8/20 0.60
TSHR P16473 1/20 0.51
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC4 P56524 3/20 0.35
CAPN1 P07384 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL9459180 1.00 EPHX1 (0.60) EPHX1TSHRMEN1TP53CYP1A2
Potassium Ion SCHEMBL9487155 0.96 EPHX1 (0.60) EPHX1TSHRMEN1TP53CYP1A2
Potassium Ion SCHEMBL9487151 0.96 EPHX1 (0.60) EPHX1TSHRMEN1TP53CYP1A2
Lithium Ion SCHEMBL10477590 0.96 EPHX1 (0.60) EPHX1TSHRMEN1TP53CYP1A2
Potassium Ion SCHEMBL6580827 0.96 EPHX1 (0.60) EPHX1TSHRMEN1TP53CYP1A2
Potassium Ion SCHEMBL4885554 0.96 EPHX1 (0.60) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL8642808 0.82 TSHR (0.44) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL4071198 0.80 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL15307543 0.80 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL3343090 0.80 EPHX1 (0.67) EPHX1TSHRMEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034178-B2 Process for the production of 3-phenylisoserine ALTANA PHARMA AG (DE) 2006-04-25 US disclosed
US-20060041163-A1 Process for the production of optically active 3-phenylisoserine ALTANA PHARMA AG 2006-02-23 US disclosed
EP-1463699-A2 PROCESS FOR THE PRODUCTION OF 3-PHENYLISOSERINE ALTANA Pharma AG (DE) 2004-10-06 EP disclosed
US-20040176460-A1 Use of L-(+)-tartaric acid in the separation of (R, R)-3-phenylisoserine or a derivative thereof from racemic mixtures ALTANA PHARMA AG (DE) 2004-09-09 US disclosed
WO-2003003804-A2 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE 3-PHENYLISOSERINE ALTANA PHARMA AG (DE) 2003-01-16 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 (2 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-20060041163-A1 Process for the production of optically active 3-phenylisoserine PSPH, PCMT1, SRR CA2 4176/4885CA4 4146/4885EDNRA 4663/4885
US-20040176460-A1 Use of L-(+)-tartaric acid in the separation of (R, R)-3-phenylisoserine or a derivative thereof from racemic mixtures SRR, PCMT1, PSAT1 CA2 2273/4885CA4 3769/4885EDNRA 3516/4885

“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.