SCHEMBL314358

SCHEMBL314358

Cc1ccncc1-c1cncc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.38
CYP11B1 P15538 2/20 0.38
ABL1 P00519 11/20 0.37
SLC22A12 Q96S37 1/20 0.34
GRM5 P41594 1/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 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
SCHEMBL314359 1.00 CYP11B2 (0.38) CYP11B2CYP11B1ABL1SLC22A12GRM5
SCHEMBL316383 0.91 ABL1 (0.34) CYP11B2CYP11B1ABL1SLC22A12CLK2
SCHEMBL316382 0.91 ABL1 (0.34) CYP11B2CYP11B1ABL1SLC22A12CLK2
SCHEMBL2415552 0.88 PRMT5 (0.40) CYP11B2CYP11B1ABL1SLC22A12GRM5
SCHEMBL2415556 0.88 PRMT5 (0.40) CYP11B2CYP11B1ABL1SLC22A12GRM5
SCHEMBL315883 0.87 ABL1 (0.38) CYP11B2CYP11B1ABL1SLC22A12CYP1A2
SCHEMBL315882 0.87 ABL1 (0.38) CYP11B2CYP11B1ABL1SLC22A12CYP1A2
SCHEMBL314846 0.84 ABL1 (0.34) ABL1GRM5
SCHEMBL314847 0.84 ABL1 (0.34) ABL1GRM5
SCHEMBL315429 0.83 ADORA3 (0.32) CYP11B2GRM5PDGFRACYP1A2

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 295/4885ABL1 1574/4885

“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.