SCHEMBL314667

SCHEMBL314667

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1c(C)ccnc1-c1c(C)noc1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.32
FFAR2 O15552 2/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL314668 1.00 BRD4 (0.32) BRD4FFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL3399884 0.85 FFAR2 (0.35) BRD4FFAR2
SCHEMBL315927 0.85 FFAR2 (0.35) BRD4FFAR2
SCHEMBL3397292 0.81 PTPN1 (0.34)
SCHEMBL315135 0.81 PTPN1 (0.34)
SCHEMBL2142166 0.79 ALDH1A1 (0.33) CYP2D6CYP2C9CYP2C19
SCHEMBL316125 0.79 AURKA (0.35) BRD4FFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL3400272 0.79 AURKA (0.35) BRD4FFAR2CYP1A2CYP3A4CYP2D6
SCHEMBL2138203 0.79 ALDH1A1 (0.33) CYP2D6CYP2C9CYP2C19
SCHEMBL314209 0.79

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 BRD4 3810/4885FFAR2 3373/4885CYP1A2 111/4885

“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.