SCHEMBL2140938

SCHEMBL2140938

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cncc(-c2cccc(C#N)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP11B1 P15538 1/20 0.35
ABL1 P00519 1/20 0.35
CTSA P10619 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
GRM5 P41594 1/20 0.34
PIK3CG P48736 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
SCN9A Q15858 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL2140945 1.00 CYP11B2 (0.36) CYP11B2BRD4BRD2SLC6A2SLC6A3
SCHEMBL2142044 0.90 XDH (0.43) CYP11B2CYP11B1PIK3CGSCN9AXDH
SCHEMBL2142042 0.90 XDH (0.43) CYP11B2CYP11B1PIK3CGSCN9AXDH
SCHEMBL2141882 0.87 CYP11B1 (0.39) CYP11B2BRD4CYP11B1CTSAPIK3CG
SCHEMBL5285848 0.87 CYP11B1 (0.39) CYP11B2BRD4CYP11B1CTSAPIK3CG
SCHEMBL2139085 0.86 CHRNB2 (0.36) CYP11B2CYP11B1CTSAXDH
SCHEMBL2139089 0.86 CHRNB2 (0.36) CYP11B2CYP11B1CTSAXDH
SCHEMBL2141868 0.86 CYP11B2 (0.39) CYP11B2CYP11B1
SCHEMBL2141442 0.86 CYP11B2 (0.39) CYP11B2CYP11B1
SCHEMBL2139468 0.86 CYP11B2 (0.35) CYP11B2CYP11B1EGLN1SCN9AXDH

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 222/4885BRD4 3281/4885BRD2 4506/4885

“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.