SCHEMBL7145593

SCHEMBL7145593

CCOC(=O)C(=O)CC(=O)[O-].[Na+]

nearest known ligand 0.46

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
CA4 known ✓ P22748 2/20 0.46
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLO1 Q04760 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 1/20 0.39
FAAH O00519 2/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL8804853 0.85 GAA (0.52) MGAMGAASIMGAM2EGLN1
SCHEMBL17817681 0.80 GAA (0.48) MGAMGAASIMGAM2EGLN1
SCHEMBL183336 0.78 ALDH1A1 (0.48) MGAMGAASIMGAM2EGLN1
SCHEMBL1680531 0.78 GAA (0.67) MGAMGAASIMGAM2EGLN1
SCHEMBL3183138 0.78 GAA (0.67) CA4MGAMGAASIMGAM2
SCHEMBL6129631 0.78 EGLN1 (0.54) MGAMGAASIMGAM2EGLN1
SCHEMBL2866642 0.77
SCHEMBL14902256 0.76 ALOX15 (0.50) MGAMGAASIMGAM2EGLN1
SCHEMBL16047813 0.76 EGLN1 (0.47) MGAMGAASIMGAM2EGLN1
SCHEMBL626011 0.76 GAA (0.64) MGAMGAASIMGAM2EGLN1

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-6642206-B2 Useful in treating a wide variety of diseases including infections, infestations, neoplasms and autoimmune diseases ICN PHARMACEUTICALS, INC. 2003-11-04 US disclosed
US-6573248-B2 Therapeutic agent for use in the treatment of tumors, infections, infestation and autoimmune disease ICN PHARMACEUTICALS, INC. 2003-06-03 US disclosed
US-6552183-B1 Moncyclic L-nucleosides analogs ICN PHARMACEUTICALS, INC. 2003-04-22 US disclosed
US-20030018186-A1 Monocyclic L-nucleosides, analogs and uses thereof BAUSCH HEALTH COMPANIES INC. (CA) 2003-01-23 US disclosed
US-20020095033-A1 Monocyclic L-nucleosides, analogs and uses thereof ICN PHARMACEUTICALS, INC. 2002-07-18 US disclosed
US-6130326-A Monocyclic L-Nucleosides, analogs and uses thereof ICN PHARMACEUTICALS, INC. (US) 2000-10-10 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-20030018186-A1 Monocyclic L-nucleosides, analogs and uses thereof PNP, TYMP, SLC29A1 CA4 3232/4885MGAM 1167/4885GAA 782/4885
US-20020095033-A1 Monocyclic L-nucleosides, analogs and uses thereof PNP, TYMP, SLC29A1 CA4 3232/4885MGAM 1167/4885GAA 782/4885

“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.