SCHEMBL314886

SCHEMBL314886

O[C@@H]1[C@@H](O)[C@@H](Oc2cc(-c3cccnc3)cnc2F)SC[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
MKNK1 Q9BUB5 6/20 0.36
MKNK2 Q9HBH9 6/20 0.36
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
JAK2 O60674 2/20 0.36
EGFR P00533 1/20 0.36
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
KIT P10721 1/20 0.33

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
SCHEMBL314885 1.00 CYP11B2 (0.37) CYP11B2CYP11B1MKNK1MKNK2PDGFRB
SCHEMBL316023 0.87 PDGFRB (0.33) PDGFRBPDGFRAEGFRCYP1A2ALDH1A1
SCHEMBL316024 0.87 PDGFRB (0.33) PDGFRBPDGFRAEGFRCYP1A2ALDH1A1
SCHEMBL2410189 0.87 MKNK1 (0.41) CYP11B2CYP11B1MKNK1MKNK2CYP1A2
SCHEMBL2410194 0.87 MKNK1 (0.41) CYP11B2CYP11B1MKNK1MKNK2CYP1A2
SCHEMBL314326 0.86 JAK2 (0.31) JAK2
SCHEMBL314327 0.86 JAK2 (0.31) JAK2
SCHEMBL2412590 0.86 ERN1 (0.38) CYP11B2CYP11B1MKNK1MKNK2CYP3A4
SCHEMBL2412587 0.86 ERN1 (0.38) CYP11B2CYP11B1MKNK1MKNK2CYP3A4
SCHEMBL315830 0.85 CYP2A6 (0.34) CYP11B2CYP11B1CYP2A6CYP3A4

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 5 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
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 WO 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 CYP11B2 261/4885CYP11B1 295/4885MKNK1 3785/4885

“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.