SCHEMBL2413091

SCHEMBL2413091

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2ccccc2-c2c(C)noc2C)SC[C@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 5/20 0.38
BRD4 O60885 7/20 0.34
CREBBP Q92793 2/20 0.34
BRD2 P25440 2/20 0.34
AR P10275 1/20 0.33
KMT2A Q03164 1/20 0.32
TTK P33981 1/20 0.32
UCHL1 P09936 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FFAR1 O14842 1/20 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
SCHEMBL2413089 1.00 FFAR2 (0.38) FFAR2BRD4CREBBPBRD2AR
SCHEMBL2410896 0.89 BTK (0.35) FFAR2BRD4CREBBPBRD2AR
SCHEMBL2410893 0.89 BTK (0.35) FFAR2BRD4CREBBPBRD2AR
SCHEMBL314817 0.87 GPBAR1 (0.36) FFAR2BRD4BRD2ARALDH1A1
SCHEMBL3398578 0.87 GPBAR1 (0.36) FFAR2BRD4BRD2ARALDH1A1
SCHEMBL315927 0.87 FFAR2 (0.35) FFAR2BRD4CREBBPBRD2KMT2A
SCHEMBL3399884 0.87 FFAR2 (0.35) FFAR2BRD4CREBBPBRD2KMT2A
SCHEMBL315793 0.83 BRD4 (0.32) FFAR2BRD4CYP1A2CYP3A4FFAR1
SCHEMBL315794 0.83 BRD4 (0.32) FFAR2BRD4CYP1A2CYP3A4FFAR1
SCHEMBL2409478 0.82 FFAR2 (0.38) FFAR2BRD4CREBBPBRD2FFAR1

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 FFAR2 4289/4885BRD4 4110/4885CREBBP 4100/4885

“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.