SCHEMBL1521141

SCHEMBL1521141

O=P([O-])([O-])O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O.[Na+].[Na+]

nearest known ligand 0.58

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 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ IGF2R P11717 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 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
SCHEMBL8338356 1.00 L3MBTL1 (0.45) L3MBTL1GAATYRMAPTPTPN1
SCHEMBL28542344 1.00 L3MBTL1 (0.45) L3MBTL1GAATYRMAPTPTPN1
SCHEMBL1521297 1.00 L3MBTL1 (0.45) L3MBTL1GAATYRMAPTPTPN1
SCHEMBL1521065 1.00 L3MBTL1 (0.45) L3MBTL1GAATYRMAPTPTPN1
SCHEMBL1521049 1.00 L3MBTL1 (0.45) L3MBTL1GAATYRMAPTPTPN1
SCHEMBL1521142 1.00 L3MBTL1 (0.45) L3MBTL1GAATYRMAPTPTPN1
SCHEMBL1521051 1.00 L3MBTL1 (0.45) L3MBTL1GAATYRMAPTPTPN1
SCHEMBL1521293 1.00 L3MBTL1 (0.45) L3MBTL1GAATYRMAPTPTPN1
SCHEMBL1521070 1.00 L3MBTL1 (0.45) L3MBTL1GAATYRMAPTPTPN1
SCHEMBL7114633 1.00 L3MBTL1 (0.45) L3MBTL1GAATYRMAPTPTPN1

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
US-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-03-20 — — US claimed
US-7906460-B2 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and “unnatural” UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER (US) 2011-03-15 — — US disclosed
US-20070178487-A1 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLYLTRANSFERASES AND GENERAL ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND \"UNNATURAL\" UDP- AND TDP-NUCLEOTIDE SUGARS WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-08-02 — — US disclosed
US-7122359-B2 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and “unnatural” UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-17 — — US disclosed
US-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-03-20 — — US disclosed
WO-2002048331-A2 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLTRANSFERASES AND ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND 'UNNATURAL' UDP- AND NUCLEOTIDE SUGARS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2002-06-20 — — 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-20030055235-A1 Active-site engineering of nucleotidylyltransferases and general enzymatic methods for the synthesis of natural and \"unnatural\" UDP- and TDP-nucleotide sugars PNP, NUDT14, ENTPD5 L3MBTL1 1097/4885GAA 305/4885TYR 1650/4885
US-20070178487-A1 ACTIVE-SITE ENGINEERING OF NUCLEOTIDYLYLTRANSFERASES AND GENERAL ENZYMATIC METHODS FOR THE SYNTHESIS OF NATURAL AND \"UNNATURAL\" UDP- AND TDP-NUCLEOTIDE SUGARS PNP, NUDT14, NUDT5 L3MBTL1 1051/4885GAA 331/4885TYR 1571/4885

“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.

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