SCHEMBL314949

SCHEMBL314949

COc1ccc(-c2ccc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)cn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP2A6 P11509 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
DGAT1 O75907 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CYP19A1 P11511 2/20 0.36
FYN P06241 1/20 0.35
MTOR P42345 3/20 0.35
ADORA2A P29274 1/20 0.35
KCNH2 Q12809 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PIK3CA P42336 2/20 0.35
NAAA Q02083 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL314948 1.00 CYP11B1 (0.37) CYP11B1CYP2A6MKNK1MKNK2DGAT1
SCHEMBL1974836 0.92 CYP2A6 (0.37) CYP2A6MKNK1MKNK2FYNBRD4
SCHEMBL1974833 0.92 CYP2A6 (0.37) CYP2A6MKNK1MKNK2FYNBRD4
SCHEMBL2142627 0.90 RXFP1 (0.44) CYP11B1RXFP1FYNNAAA
SCHEMBL2142633 0.90 RXFP1 (0.44) CYP11B1RXFP1FYNNAAA
SCHEMBL315194 0.86 MTOR (0.33) RXFP1MTORKCNH2PIK3CANAAA
SCHEMBL315193 0.86 MTOR (0.33) RXFP1MTORKCNH2PIK3CANAAA
SCHEMBL314385 0.86 CHRNA7 (0.37) DGAT1RXFP1MTORPIK3CANAAA
SCHEMBL314384 0.86 CHRNA7 (0.37) DGAT1RXFP1MTORPIK3CANAAA
SCHEMBL2140810 0.85 CHRNA7 (0.47) RXFP1NAAA

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-8093394-B2 Derivatives of 5-thioxylopyranose and use of same for treatment LABORATOIRES FOURNIER S.A. (FR) 2012-01-10 US disclosed
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment LABORATOIRES FOURNIER S.A. (FR) 2009-07-16 US disclosed
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 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-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX CYP11B1 295/4885CYP2A6 158/4885MKNK1 3785/4885

“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.