SCHEMBL2408847

SCHEMBL2408847

Cc1cc(-c2cccc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.38
DYRK1A Q13627 2/20 0.38
PORCN Q9H237 3/20 0.38
PSEN1 P49768 5/20 0.36
PSEN2 P49810 5/20 0.36
APH1B Q8WW43 5/20 0.36
NCSTN Q92542 5/20 0.36
APH1A Q96BI3 5/20 0.36
PSENEN Q9NZ42 5/20 0.36
PDK2 Q15119 1/20 0.35
ROCK1 Q13464 2/20 0.34
ROCK2 O75116 1/20 0.34
ABL1 P00519 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
PIK3CB P42338 1/20 0.33
CYP3A4 P08684 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
SCHEMBL2408850 1.00 WNT3A (0.38) WNT3ADYRK1APORCNPSEN1PSEN2
SCHEMBL315085 0.86 CYP11B2 (0.37) WNT3ADYRK1APORCNPDK2ABL1
SCHEMBL315084 0.86 CYP11B2 (0.37) WNT3ADYRK1APORCNPDK2ABL1
SCHEMBL2411199 0.86 ROCK1 (0.35) ROCK1ROCK2ADORA3CYP3A4
SCHEMBL2411437 0.86 GRM5 (0.37) ROCK1ROCK2ADORA3CYP3A4
SCHEMBL2411194 0.86 ROCK1 (0.35) ROCK1ROCK2ADORA3CYP3A4
SCHEMBL2412695 0.86 PRMT5 (0.40) WNT3AABL1ADORA3PIK3CBCYP3A4
SCHEMBL2412704 0.86 PRMT5 (0.40) WNT3AABL1ADORA3PIK3CBCYP3A4
SCHEMBL2411434 0.86 GRM5 (0.37) ROCK1ROCK2ADORA3CYP3A4
SCHEMBL2408725 0.85 MGLL (0.37) ADORA3

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 WNT3A 3031/4885DYRK1A 4436/4885PORCN 860/4885

“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.