SCHEMBL316435

SCHEMBL316435

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cc(-c2ccnc(F)c2)cnc1F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
GSK3B P49841 1/20 0.31
MAPT P10636 2/20 0.30
GRM5 P41594 1/20 0.30
F2R P25116 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
SCHEMBL316436 1.00 ROCK2 (0.32) ROCK2AAK1GSK3BMAPTGRM5
SCHEMBL314410 0.90 AXL (0.31)
SCHEMBL314409 0.90 AXL (0.31)
SCHEMBL314502 0.89 F2R (0.33) F2R
SCHEMBL314503 0.89 F2R (0.33) F2R
SCHEMBL2412448 0.87 GSK3B (0.32) ROCK2AAK1GSK3B
SCHEMBL2412447 0.87 GSK3B (0.32) ROCK2AAK1GSK3B
SCHEMBL2408349 0.87 DYRK1A (0.35) ROCK2AAK1
SCHEMBL2408347 0.87 DYRK1A (0.35) ROCK2AAK1
SCHEMBL3395477 0.86 JAK2 (0.31)

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 3 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

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 ROCK2 3269/4885AAK1 3619/4885GSK3B 2307/4885

“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.