SCHEMBL2140809

SCHEMBL2140809

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CYP11B2 P19099 5/20 0.33
CYP11B1 P15538 4/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 1/20 0.33
KCNH2 Q12809 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
RET P07949 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL2139187 1.00 ABL1 (0.38) ABL1PDK1PDK2PRMT5WDR77
SCHEMBL2140379 0.89 CTSA (0.36) CYP11B2CYP11B1ROCK2KCNH2
SCHEMBL2143057 0.89 CTSA (0.36) CYP11B2CYP11B1ROCK2KCNH2
SCHEMBL2140425 0.88 CTSA (0.38) ABL1KCNH2
SCHEMBL2137841 0.88 CTSA (0.38) ABL1KCNH2
SCHEMBL2141760 0.88 KCNH2 (0.42) KCNH2
SCHEMBL2140756 0.88 CTSA (0.34) CYP11B2ROCK2ROCK1KCNH2
SCHEMBL2140764 0.88 CTSA (0.34) CYP11B2ROCK2ROCK1KCNH2
SCHEMBL2143467 0.88 KCNH2 (0.42) KCNH2
SCHEMBL2141139 0.86 CYP11B2 (0.41) CYP11B2CYP11B1

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 ABL1 2028/4885PDK1 1622/4885PDK2 2270/4885

“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.