SCHEMBL2139701

SCHEMBL2139701

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cc(-c2ccc(C#N)cc2)cnc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
MAP4K4 O95819 3/20 0.33
MINK1 Q8N4C8 2/20 0.33
TNIK Q9UKE5 2/20 0.33
PARP1 P09874 1/20 0.33
CTSA P10619 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
KIT P10721 1/20 0.32
FLT1 P17948 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
ALPL P05186 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
PTPN11 Q06124 1/20 0.31
GPR6 P46095 1/20 0.31
BRD4 O60885 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 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
SCHEMBL2139702 1.00 XDH (0.35) XDHEGLN1MAP4K4MINK1TNIK
SCHEMBL314502 0.87 F2R (0.33)
SCHEMBL314503 0.87 F2R (0.33)
SCHEMBL314409 0.87 AXL (0.31)
SCHEMBL314410 0.87 AXL (0.31)
SCHEMBL315288 0.85 JAK2 (0.31)
SCHEMBL3395477 0.85 JAK2 (0.31)
SCHEMBL316436 0.83 ROCK2 (0.32)
SCHEMBL316435 0.83 ROCK2 (0.32)
SCHEMBL3400945 0.83 CYP11B2 (0.36)

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-8148407-B2 Compounds derived from 5-thioxylose and their use in therapeutics LABORATORIES FOURNIER S.A. (FR) 2012-04-03 US disclosed
US-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics INVENTIVA (FR) 2008-11-27 US disclosed
EP-1861411-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2007-12-05 EP disclosed
WO-2006100413-A9 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF FOURNIER LAB SA (FR) 2007-10-18 WO disclosed
WO-2006100413-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2006-09-28 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-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics TPMT, STS, TBXAS1 XDH 38/4885EGLN1 869/4885MAP4K4 3870/4885

“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.