SCHEMBL314722

SCHEMBL314722

O[C@@H]1[C@@H](O)[C@H](Oc2ccc(-c3ccc(F)nc3)nc2Cl)SC[C@H]1O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
MTOR P42345 1/20 0.32
DHODH Q02127 1/20 0.31
JAK2 O60674 1/20 0.30
RET P07949 1/20 0.30
KDR P35968 1/20 0.30
GSK3A P49840 1/20 0.30
RPS6KA3 P51812 1/20 0.30
LIMK1 P53667 1/20 0.30
MAP2K1 Q02750 1/20 0.30
DYRK1A Q13627 1/20 0.30
MAPK14 Q16539 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
ALK Q9UM73 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
KMO O15229 1/20 0.30

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
SCHEMBL314723 1.00 MAPT (0.33) MAPTMTORDHODHJAK2RET
SCHEMBL316205 0.89 MAPT (0.34) MAPTMTORJAK2RETKDR
SCHEMBL316204 0.89 MAPT (0.34) MAPTMTORJAK2RETKDR
SCHEMBL315539 0.85 MAP4K4 (0.36) MAPTMTORJAK2MAP2K1KMO
SCHEMBL315540 0.85 MAP4K4 (0.36) MAPTMTORJAK2MAP2K1KMO
SCHEMBL315245 0.83
SCHEMBL315246 0.83
SCHEMBL316389 0.83 NPC1 (0.39) MAPTLIMK1
SCHEMBL316388 0.83 NPC1 (0.39) MAPTLIMK1
SCHEMBL316528 0.82 CYP11B2 (0.34)

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 MAPT 4436/4885MTOR 1560/4885DHODH 24/4885

“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.