SCHEMBL1843233

SCHEMBL1843233

O=C(Br)[C@](O)(C(=O)c1ccccc1)[C@](O)(C(=O)c1ccccc1)[C@@](O)(CO)C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 6/20 0.38
▸ SRC P12931 1/20 0.36
▸ GSK3B P49841 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ MAPK1 P28482 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CES2 O00748 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ DAO P14920 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NAPRT Q6XQN6 1/20 0.31
▸ RAB9A P51151 2/20 0.31

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
SCHEMBL1845079 1.00 CES1 (0.38) CES1SRCGSK3BPTPN1MAPK1
SCHEMBL27700743 0.84 CES1 (0.38) CES1SRCGSK3BPTPN1MAPK1
SCHEMBL8071585 0.81 CES1 (0.47) CES1SRCGSK3BPTPN1MAPK1
SCHEMBL21753643 0.81 SRC (0.54) CES1SRCMAPK1HPGDKMT2A
SCHEMBL30006971 0.81 SRC (0.54) CES1SRCMAPK1HPGDKMT2A
SCHEMBL1846320 0.75 CES1 (0.38) CES1SRCGSK3BPTPN1MAPK1
SCHEMBL1846060 0.75 CES1 (0.38) CES1SRCGSK3BPTPN1MAPK1
SCHEMBL29634553 0.75 CES1 (0.38) CES1SRCGSK3BPTPN1MAPK1
Bromide SCHEMBL30007543 0.74 CES1 (0.37) CES1SRCGSK3BPTPN1MAPK1
Bromide SCHEMBL21753647 0.74 CES1 (0.37) CES1SRCGSK3BPTPN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320729-B1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CT SE LLC (US) 2015-04-22 — — EP disclosed
US-8703723-B2 Glycoside compounds and pharmaceutical compositions thereof CENTROSE, LLC (US) 2014-04-22 — — US disclosed
US-20130178431-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CENTROSE, LLC (US) 2013-07-11 — — US disclosed
US-8361973-B2 Glycoside compounds and pharmaceutical compositions thereof CENTROSE, LLC (US) 2013-01-29 — — US disclosed
US-20110319350-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CENTROSE, LLC (US) 2011-12-29 — — US disclosed
EP-2320729-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Centrose, Llc (US) 2011-05-18 — — EP disclosed
WO-2010017480-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CENTROSE, LLC (US) 2010-02-11 — — 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-20110319350-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF UGCG, NFATC1, GAA CES1 1461/4885SRC 1355/4885GSK3B 505/4885
US-20130178431-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF UGCG, NFATC1, GAA CES1 1461/4885SRC 1355/4885GSK3B 505/4885

“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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