SCHEMBL2140185

SCHEMBL2140185

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3ccc(C#N)cc3C)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.35
CYP11B1 P15538 7/20 0.35
SCN9A Q15858 1/20 0.34
LRRK2 Q5S007 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
MAP4K1 Q92918 1/20 0.32
XDH P47989 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
SCHEMBL2139468 1.00 CYP11B2 (0.35) CYP11B2CYP11B1SCN9ALRRK2HRH2
SCHEMBL2142042 0.88 XDH (0.43) CYP11B2CYP11B1SCN9ASLC22A12XDH
SCHEMBL2142044 0.88 XDH (0.43) CYP11B2CYP11B1SCN9ASLC22A12XDH
SCHEMBL2139165 0.86 CYP11B1 (0.40) CYP11B2CYP11B1SLC22A12
SCHEMBL2140425 0.86 CTSA (0.38)
SCHEMBL2143426 0.86 CYP11B1 (0.40) CYP11B2CYP11B1SLC22A12
SCHEMBL2137841 0.86 CTSA (0.38)
SCHEMBL2140938 0.86 CYP11B2 (0.36) CYP11B2CYP11B1SCN9AEGLN1XDH
SCHEMBL2140945 0.86 CYP11B2 (0.36) CYP11B2CYP11B1SCN9AEGLN1XDH
SCHEMBL3395304 0.84 ABL1 (0.35) SLC22A12

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 CYP11B2 222/4885CYP11B1 221/4885SCN9A 3229/4885

“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.