SCHEMBL2410896

SCHEMBL2410896

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(F)ccc2-c2c(C)noc2C)SC[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
BRD4 O60885 4/20 0.33
AR P10275 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
MET P08581 1/20 0.33
AXL P30530 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FTO Q9C0B1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
FFAR2 O15552 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
BRD2 P25440 1/20 0.32
CREBBP Q92793 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 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
SCHEMBL2410893 1.00 BTK (0.35) BTKBRD4ARDGAT2MET
SCHEMBL2413091 0.89 FFAR2 (0.38) BRD4ARKMT2ACYP1A2CYP3A4
SCHEMBL2413089 0.89 FFAR2 (0.38) BRD4ARKMT2ACYP1A2CYP3A4
SCHEMBL2417204 0.84 BRD4 (0.38) BRD4FTOFFAR2BRD2CREBBP
SCHEMBL2417206 0.84 BRD4 (0.38) BRD4FTOFFAR2BRD2CREBBP
SCHEMBL314817 0.84 GPBAR1 (0.36) BRD4ARCYP1A2CYP3A4CYP2C19
SCHEMBL3398578 0.84 GPBAR1 (0.36) BRD4ARCYP1A2CYP3A4CYP2C19
SCHEMBL315793 0.83 BRD4 (0.32) BRD4CYP1A2CYP3A4CYP2C19FFAR2
SCHEMBL315794 0.83 BRD4 (0.32) BRD4CYP1A2CYP3A4CYP2C19FFAR2
SCHEMBL2413372 0.83 ERN1 (0.38) BRD4FTOBRD2CREBBPEP300

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 BTK 2085/4885BRD4 4110/4885AR 4400/4885

“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.