SCHEMBL2138169

SCHEMBL2138169

COc1ccc(-c2cncc(O[C@@H]3SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.39
CYP11B1 P15538 8/20 0.39
CYP17A1 P05093 5/20 0.39
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CYP3A4 P08684 4/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
FASN P49327 1/20 0.33
CTSA P10619 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CYP1A2 P05177 2/20 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
SCHEMBL2138226 1.00 CYP11B2 (0.39) CYP11B2CYP11B1CYP17A1CDC7DBF4
SCHEMBL2139910 0.90 CHRNB1 (0.33) CTSACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2140964 0.90 CHRNB1 (0.33) CTSACHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2143426 0.90 CYP11B1 (0.40) CYP11B2CYP11B1CYP17A1CYP3A4CTSA
SCHEMBL2139165 0.90 CYP11B1 (0.40) CYP11B2CYP11B1CYP17A1CYP3A4CTSA
SCHEMBL2140764 0.89 CTSA (0.34) CYP11B2CDC7DBF4GRIN2BCTSA
SCHEMBL2140756 0.89 CTSA (0.34) CYP11B2CDC7DBF4GRIN2BCTSA
SCHEMBL3398727 0.87 ABL1 (0.34) CYP11B2CTSA
SCHEMBL316221 0.87 ABL1 (0.34) CYP11B2CTSA
SCHEMBL2142952 0.87 MAP4K4 (0.42) CYP11B2CYP11B1CYP3A4CTSACHRNB1

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 221/4885CYP17A1 630/4885

“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.