SCHEMBL314827

SCHEMBL314827

O[C@@H]1[C@@H](O)[C@@H](Oc2ccc(-c3ccco3)nc2)SC[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.35
ADORA2A P29274 8/20 0.35
ADORA1 P30542 5/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA2B P29275 3/20 0.30
GHSR Q92847 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 1/20 0.30
CYP19A1 P11511 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
SCHEMBL314826 1.00 ADORA3 (0.35) ADORA3ADORA2AADORA1CYP11B1CYP11B2
SCHEMBL2412406 0.82 KDM4E (0.39) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL2412409 0.82 KDM4E (0.39) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL314184 0.81 GHSR (0.32) GHSR
SCHEMBL314185 0.81 GHSR (0.32) GHSR
SCHEMBL316425 0.80 FYN (0.34) ADORA3CYP11B1CYP11B2ALDH1A1HSD17B10
SCHEMBL316426 0.80 FYN (0.34) ADORA3CYP11B1CYP11B2ALDH1A1HSD17B10
SCHEMBL314639 0.79 CNR2 (0.38) CYP11B1KDM4EALDH1A1MAPTCYP19A1
SCHEMBL315456 0.79 CHRNB2 (0.42) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL315457 0.79 CHRNB2 (0.42) ADORA3ADORA2AADORA1ALDH1A1MAPT

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 ADORA3 2499/4885ADORA2A 1894/4885ADORA1 1940/4885

“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.