SCHEMBL2413288

SCHEMBL2413288

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cccc(-c3cn(C)nc3C(F)(F)F)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.36
CREBBP Q92793 11/20 0.36
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 1/20 0.34
PIK3CD O00329 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.32
SYK P43405 1/20 0.32
APLNR P35414 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL2413287 1.00 BRD4 (0.36) BRD4CREBBPHCRTR1HCRTR2PIK3CD
SCHEMBL314386 0.88 BRD4 (0.37) BRD4CREBBPGAA
SCHEMBL314387 0.88 BRD4 (0.37) BRD4CREBBPGAA
SCHEMBL2414404 0.81 WNT1 (0.37) BRD4CREBBPPRMT5WDR77
SCHEMBL2414409 0.81 WNT1 (0.37) BRD4CREBBPPRMT5WDR77
SCHEMBL2410510 0.79 IKBKB (0.33)
SCHEMBL2410514 0.79 IKBKB (0.33)
SCHEMBL2414199 0.79 BRD4 (0.35) BRD4CREBBPPRMT5WDR77SYK
SCHEMBL2414203 0.79 BRD4 (0.35) BRD4CREBBPPRMT5WDR77SYK
SCHEMBL2415464 0.78 PRMT5 (0.36) PRMT5WDR77

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 BRD4 4110/4885CREBBP 4100/4885HCRTR1 4884/4885

“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.