SCHEMBL315882

SCHEMBL315882

COc1ccncc1-c1cncc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.38
CYP11B2 P19099 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
NAAA Q02083 1/20 0.35
PPARD Q03181 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAP4K1 Q92918 2/20 0.32
MCHR1 Q99705 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL315883 1.00 ABL1 (0.38) ABL1CYP11B2SLC22A12IKBKBCHUK
SCHEMBL2141417 0.89 CHRNB4 (0.41) ABL1CYP11B2CHRNB4CHRNA3CYP11B1
SCHEMBL2141421 0.89 CHRNB4 (0.41) ABL1CYP11B2CHRNB4CHRNA3CYP11B1
SCHEMBL2412635 0.88 RPS6KA3 (0.40) ABL1CYP11B2SLC22A12IKBKBCHUK
SCHEMBL2412631 0.88 RPS6KA3 (0.40) ABL1CYP11B2SLC22A12IKBKBCHUK
SCHEMBL314358 0.87 CYP11B2 (0.38) ABL1CYP11B2SLC22A12CYP1A2CYP11B1
SCHEMBL314359 0.87 CYP11B2 (0.38) ABL1CYP11B2SLC22A12CYP1A2CYP11B1
SCHEMBL2143072 0.86 CYP11B1 (0.42) CYP11B2CYP1A2CYP2E1CYP2D6CYP2A6
SCHEMBL2142630 0.86 CYP11B1 (0.42) CYP11B2CYP1A2CYP2E1CYP2D6CYP2A6
SCHEMBL2142320 0.85 KCNH2 (0.45) CYP2D6

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 ABL1 1574/4885CYP11B2 261/4885SLC22A12 3431/4885

“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.