SCHEMBL314689

SCHEMBL314689

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cnccc1-c1ccncc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.32
ADORA2B P29275 1/20 0.32
IKBKB O14920 1/20 0.31
CHUK O15111 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
SCHEMBL314690 1.00 SLC22A12 (0.32) SLC22A12ADORA2BIKBKBCHUK
SCHEMBL2141887 0.92 CACNA1B (0.38) SLC22A12ADORA2B
SCHEMBL2141893 0.92 CACNA1B (0.38) SLC22A12ADORA2B
SCHEMBL316662 0.91 MKNK1 (0.36) SLC22A12
SCHEMBL316661 0.91 MKNK1 (0.36) SLC22A12
SCHEMBL2141335 0.91 CACNA1B (0.40) SLC22A12
SCHEMBL2141327 0.91 CACNA1B (0.40) SLC22A12
SCHEMBL2139628 0.91 SLC22A12 (0.39) SLC22A12
SCHEMBL5281609 0.91 SLC22A12 (0.39) SLC22A12
SCHEMBL2142874 0.89 SLC22A12 (0.41) SLC22A12

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 SLC22A12 3431/4885ADORA2B 2612/4885IKBKB 1432/4885

“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.