SCHEMBL2139165

SCHEMBL2139165

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.40
CYP11B2 P19099 9/20 0.40
CYP17A1 P05093 3/20 0.35
CTSA P10619 3/20 0.35
CYP3A4 P08684 4/20 0.33
CYP1A2 P05177 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
CYP2C9 P11712 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL2143426 1.00 CYP11B1 (0.40) CYP11B1CYP11B2CYP17A1CTSACYP3A4
SCHEMBL2138226 0.90 CYP11B2 (0.39) CYP11B1CYP11B2CYP17A1CTSACYP3A4
SCHEMBL2138169 0.90 CYP11B2 (0.39) CYP11B1CYP11B2CYP17A1CTSACYP3A4
SCHEMBL2137841 0.89 CTSA (0.38) CTSA
SCHEMBL2140425 0.89 CTSA (0.38) CTSA
SCHEMBL2142952 0.88 MAP4K4 (0.42) CYP11B1CYP11B2CTSACYP3A4CYP1A2
SCHEMBL3399894 0.87 MKNK1 (0.40) CYP11B1CYP11B2CYP3A4CYP1A2MKNK1
SCHEMBL316434 0.87 MKNK1 (0.40) CYP11B1CYP11B2CYP3A4CYP1A2MKNK1
SCHEMBL3395304 0.87 ABL1 (0.35) SLC22A12
SCHEMBL314154 0.87 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 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.