SCHEMBL2413372

SCHEMBL2413372

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(-c3c(C)noc3C)cc(F)c2F)SC[C@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.38
FFAR1 O14842 8/20 0.35
BRD4 O60885 5/20 0.34
CREBBP Q92793 4/20 0.34
BRD2 P25440 3/20 0.34
FTO Q9C0B1 2/20 0.33
ATAD2 Q6PL18 1/20 0.33
EP300 Q09472 1/20 0.33

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
SCHEMBL2413371 1.00 ERN1 (0.38) ERN1FFAR1BRD4CREBBPBRD2
SCHEMBL2417204 0.89 BRD4 (0.38) ERN1FFAR1BRD4CREBBPBRD2
SCHEMBL2417206 0.89 BRD4 (0.38) ERN1FFAR1BRD4CREBBPBRD2
SCHEMBL2409475 0.84 FFAR2 (0.38) ERN1FFAR1BRD4CREBBPBRD2
SCHEMBL2409478 0.84 FFAR2 (0.38) ERN1FFAR1BRD4CREBBPBRD2
SCHEMBL2410893 0.83 BTK (0.35) FFAR1BRD4CREBBPBRD2FTO
SCHEMBL2410896 0.83 BTK (0.35) FFAR1BRD4CREBBPBRD2FTO
SCHEMBL315936 0.82 FFAR1 (0.33) FFAR1BRD4CREBBPBRD2
SCHEMBL315935 0.82 FFAR1 (0.33) FFAR1BRD4CREBBPBRD2
SCHEMBL2409828 0.81 ERN1 (0.32) ERN1

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 2 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

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 ERN1 3197/4885FFAR1 4195/4885BRD4 4110/4885

“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.