SCHEMBL2415552

SCHEMBL2415552

Cc1ccncc1-c1cccc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
ABL1 P00519 7/20 0.38
GRM5 P41594 3/20 0.37
RPS6KA3 P51812 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
CYP17A1 P05093 2/20 0.34
CYP1A2 P05177 2/20 0.34
PTGES2 Q9H7Z7 1/20 0.34

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
SCHEMBL2415556 1.00 PRMT5 (0.40) PRMT5WDR77CYP11B1CYP11B2ABL1
SCHEMBL314358 0.88 CYP11B2 (0.38) CYP11B1CYP11B2ABL1GRM5SLC22A12
SCHEMBL314359 0.88 CYP11B2 (0.38) CYP11B1CYP11B2ABL1GRM5SLC22A12
SCHEMBL2412631 0.87 RPS6KA3 (0.40) CYP11B2ABL1RPS6KA3SLC22A12CYP1A2
SCHEMBL2412635 0.87 RPS6KA3 (0.40) CYP11B2ABL1RPS6KA3SLC22A12CYP1A2
SCHEMBL2410312 0.85 GRM5 (0.37) ABL1GRM5RPS6KA3SLC22A12
SCHEMBL2410309 0.85 GRM5 (0.37) ABL1GRM5RPS6KA3SLC22A12
SCHEMBL2414587 0.83 MKNK1 (0.38) PRMT5WDR77CYP11B1CYP11B2ABL1
SCHEMBL2414591 0.83 MKNK1 (0.38) PRMT5WDR77CYP11B1CYP11B2ABL1
SCHEMBL2408725 0.83 MGLL (0.37) PRMT5WDR77

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 US disclosed
EP-2066681-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037923-A1 NEW DERIVATIVES OF 5-THIOXILOPYRANOSE 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 PRMT5 961/4885WDR77 3751/4885CYP11B1 201/4885

“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.