SCHEMBL932258

SCHEMBL932258

NNC(=O)CCCCCO[C@H]1O[C@H](CCP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@@H]1O.[Na+].[Na+]

nearest known ligand 0.48

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 10)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.35
CA2 known ✓ P00918 3/20 0.35
IGF2R P11717 8/20 0.48
GAA P10253 1/20 0.36
LGALS8 O00214 1/20 0.35
LGALS3 P17931 1/20 0.35
LGALS4 P56470 1/20 0.35
VEGFA P15692 2/20 0.35
CA9 Q16790 3/20 0.35
MAPK1 P28482 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
SCHEMBL12944441 0.89 IGF2R (0.62) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL16517931 0.89 IGF2R (0.62) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL16492434 0.89 IGF2R (0.62) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL932254 0.88 IGF2R (0.61) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL12944442 0.88 IGF2R (0.64) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL12500148 0.81 LGALS8 (0.52) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL11432204 0.81 LGALS8 (0.52) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL11432196 0.81 LGALS8 (0.52) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL15316754 0.81 LGALS8 (0.52) IGF2RGAALGALS8LGALS3LGALS4
SCHEMBL16518335 0.79 IGF2R (0.46) IGF2RGAALGALS8LGALS3LGALS4

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
EP-2448600-B1 COMPOUNDS TARGETING THE CATION-INDEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2016-03-30 EP disclosed
US-8962573-B2 Compounds targeting the cation-independent mannose 6-phosphate receptor INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2015-02-24 US disclosed
EP-2448600-A1 COMPOUNDS TARGETING THE CATION-INDEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2012-05-09 EP disclosed
US-20120093795-A1 COMPOUNDS TARGETING THE CATION-INDEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2012-04-19 US disclosed
WO-2011000958-A1 COMPOUNDS TARGETING THE CATION-INDEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-01-06 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-20120093795-A1 COMPOUNDS TARGETING THE CATION-INDEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR M6PR, IGF2R, MPI CA1 1995/4885CA2 641/4885IGF2R 2/4885

“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.