SCHEMBL2409478

SCHEMBL2409478

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(-c3c(C)noc3C)ccc2Cl)SC[C@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.38
BRD4 O60885 9/20 0.38
BRD2 P25440 5/20 0.38
CREBBP Q92793 1/20 0.38
FFAR1 O14842 3/20 0.37
BRD3 Q15059 4/20 0.36
EP300 Q09472 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ERN1 O75460 2/20 0.35

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
SCHEMBL2409475 1.00 FFAR2 (0.38) FFAR2BRD4BRD2CREBBPFFAR1
SCHEMBL2417204 0.87 BRD4 (0.38) FFAR2BRD4BRD2CREBBPFFAR1
SCHEMBL2417206 0.87 BRD4 (0.38) FFAR2BRD4BRD2CREBBPFFAR1
SCHEMBL2413371 0.84 ERN1 (0.38) BRD4BRD2CREBBPFFAR1EP300
SCHEMBL2412056 0.84 BRD4 (0.32) BRD4
SCHEMBL2413372 0.84 ERN1 (0.38) BRD4BRD2CREBBPFFAR1EP300
SCHEMBL2412061 0.84 BRD4 (0.32) BRD4
SCHEMBL2415825 0.83 BRD4 (0.46) FFAR2BRD4BRD2CREBBPFFAR1
SCHEMBL2415822 0.83 BRD4 (0.46) FFAR2BRD4BRD2CREBBPFFAR1
SCHEMBL2413089 0.82 FFAR2 (0.38) FFAR2BRD4BRD2CREBBPFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 US disclosed
EP-2066681-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037923-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 FFAR2 4289/4885BRD4 4110/4885BRD2 4720/4885

“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.