SCHEMBL2869333

SCHEMBL2869333

COC(=O)CC(O)(CC(=O)[O-])C(=O)OC.[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 14)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 2/20 0.48
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 3/20 0.34
HSD17B10 Q99714 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TET2 Q6N021 1/20 0.31
RECQL P46063 2/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL168730 0.88 TSHR (0.43) USP2LMNATSHRHSD17B10MGAM
SCHEMBL2856956 0.86 CA4 (0.68) CA4USP2LMNATSHRHSD17B10
SCHEMBL21585760 0.86 CA4 (0.42) CA4
Ammonia Solution, Strong SCHEMBL28166385 0.86 TSHR (0.42) USP2LMNATSHRHSD17B10MGAM
Methoxymethane SCHEMBL28184894 0.86 TSHR (0.42) USP2LMNATSHRHSD17B10MGAM
Propanol SCHEMBL20740645 0.81 CA4 (0.38) CA4USP2LMNA
SCHEMBL23330 0.80 ALDH1A1 (0.44) USP2LMNATSHRHSD17B10MGAM
SCHEMBL14849447 0.80 MGAM (0.44) USP2LMNATSHRHSD17B10MGAM
SCHEMBL2869338 0.79 CA4 (0.56) CA4USP2LMNATSHRHSD17B10
SCHEMBL1812866 0.78 TSHR (0.39) USP2LMNATSHRHSD17B10MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858661-B2 Protein refolding agent and refolding method SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-28 US disclosed
US-20100168403-A1 Protein refolding agent and refolding method YAMAGUCHI SHUNICHLRO 2010-07-01 US disclosed
US-20090111971-A1 PROTEIN REFOLDING AGENT AND REFOLDING METHOD SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-30 US 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-20090111971-A1 PROTEIN REFOLDING AGENT AND REFOLDING METHOD HSPA5, HSPBP1, RRBP1 CA4 2322/4885USP2 1534/4885LMNA 3290/4885
US-20100168403-A1 Protein refolding agent and refolding method HSPA5, HSPBP1, RRBP1 CA4 2250/4885USP2 1560/4885LMNA 3080/4885

“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.