SCHEMBL316125

SCHEMBL316125

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2c(C)noc2C)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.35
AURKB Q96GD4 5/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.34
BRD4 O60885 2/20 0.33
FFAR2 O15552 2/20 0.33
LPAR1 Q92633 3/20 0.32
BRD2 P25440 1/20 0.32
CREBBP Q92793 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
FFAR1 O14842 1/20 0.31
SLC8A1 P32418 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 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
SCHEMBL3400272 1.00 AURKA (0.35) AURKAAURKBSLCO1B1BRD4FFAR2
SCHEMBL3401254 0.85
SCHEMBL315439 0.85
SCHEMBL315935 0.84 FFAR1 (0.33) BRD4BRD2CREBBPFFAR1
SCHEMBL315936 0.84 FFAR1 (0.33) BRD4BRD2CREBBPFFAR1
SCHEMBL315793 0.83 BRD4 (0.32) BRD4FFAR2CYP3A4CYP1A2CYP2C19
SCHEMBL315794 0.83 BRD4 (0.32) BRD4FFAR2CYP3A4CYP1A2CYP2C19
SCHEMBL315419 0.83 CYP4A11 (0.33) CYP4F2CYP4A11
SCHEMBL315420 0.83 CYP4A11 (0.33) CYP4F2CYP4A11
SCHEMBL2142885 0.82 CHRNA7 (0.44) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093394-B2 Derivatives of 5-thioxylopyranose and use of same for treatment LABORATOIRES FOURNIER S.A. (FR) 2012-01-10 US disclosed
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment LABORATOIRES FOURNIER S.A. (FR) 2009-07-16 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX AURKA 3952/4885AURKB 3738/4885SLCO1B1 2211/4885

“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.