SCHEMBL2138922

SCHEMBL2138922

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.43
CYP11B2 P19099 13/20 0.43
CYP17A1 P05093 6/20 0.43
CYP3A4 P08684 4/20 0.39
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
SCN9A Q15858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
FASN P49327 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
SCHEMBL2138916 1.00 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CYP3A4GRIN1
SCHEMBL2143072 0.89 CYP11B1 (0.42) CYP11B1CYP11B2CYP17A1CYP3A4GRIN1
SCHEMBL2142630 0.89 CYP11B1 (0.42) CYP11B1CYP11B2CYP17A1CYP3A4GRIN1
SCHEMBL2142479 0.88 CYP11B1 (0.46) CYP11B1CYP11B2CYP17A1CYP3A4CHRNB4
SCHEMBL2142486 0.88 CYP11B1 (0.46) CYP11B1CYP11B2CYP17A1CYP3A4CHRNB4
SCHEMBL2140645 0.88 CHRNB1 (0.36) CYP11B1CYP11B2CYP17A1CYP3A4CHRNB1
SCHEMBL2140651 0.88 CHRNB1 (0.36) CYP11B1CYP11B2CYP17A1CYP3A4CHRNB1
SCHEMBL2142886 0.87 CHRNB1 (0.35) CYP11B1CYP11B2CYP17A1CYP3A4GRIN2B
SCHEMBL2142889 0.87 CHRNB1 (0.35) CYP11B1CYP11B2CYP17A1CYP3A4GRIN2B
SCHEMBL2141227 0.85 CYP11B1 (0.43) CYP11B1CYP11B2CYP3A4CHRNB1CHRNB2

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 CYP11B1 221/4885CYP11B2 222/4885CYP17A1 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.