SCHEMBL315015

SCHEMBL315015

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(-c2cccnc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.36
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PDE10A Q9Y233 1/20 0.31
CREBBP Q92793 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CYP11B2 P19099 1/20 0.30
DHODH Q02127 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL3400440 1.00 ABL1 (0.36) ABL1MKNK1MKNK2PDE10ACREBBP
SCHEMBL315735 0.92 CHRNB2 (0.36) ABL1PDE10ACHRNB2CYP11B2
SCHEMBL3400655 0.92 CHRNB2 (0.36) ABL1PDE10ACHRNB2CYP11B2
SCHEMBL314759 0.90 ABL1 (0.32) ABL1PDE10ACHRNB1CHRNB2CHRNB4
SCHEMBL3395741 0.90 ABL1 (0.32) ABL1PDE10ACHRNB1CHRNB2CHRNB4
SCHEMBL314697 0.89 ABL1 (0.43) ABL1PDE10ACHRNB4CHRNA3DHODH
SCHEMBL3395247 0.89 ABL1 (0.43) ABL1PDE10ACHRNB4CHRNA3DHODH
SCHEMBL2410909 0.89 ABL1 (0.37) ABL1MKNK1MKNK2DHODH
SCHEMBL2410913 0.89 ABL1 (0.37) ABL1MKNK1MKNK2DHODH
SCHEMBL3400490 0.87 CYP2A6 (0.36) ABL1PDE10A

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 ABL1 1574/4885MKNK1 3785/4885MKNK2 3726/4885

“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.