SCHEMBL314639

SCHEMBL314639

O[C@@H]1[C@@H](O)[C@H](Oc2ccc(-c3cc4ccccc4o3)nc2)SC[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
CYP11B1 P15538 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 2/20 0.38
METAP2 P50579 1/20 0.37
CYP19A1 P11511 1/20 0.37
APP P05067 1/20 0.36
GRM4 Q14833 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
F2RL3 Q96RI0 2/20 0.34
MKNK1 Q9BUB5 5/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 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
SCHEMBL316309 0.81 CHRNB1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL314827 0.79 ADORA3 (0.35) CYP11B1MAPTCYP19A1KDM4EALDH1A1
SCHEMBL314826 0.79 ADORA3 (0.35) CYP11B1MAPTCYP19A1KDM4EALDH1A1
SCHEMBL314184 0.78 GHSR (0.32)
SCHEMBL314185 0.78 GHSR (0.32)
SCHEMBL315017 0.77 APP (0.38) CNR2CYP11B1NPC1RAB9AMAPT
SCHEMBL314938 0.77 CYP19A1 (0.37) NPC1RAB9AMAPTCYP19A1GRM4
SCHEMBL316425 0.73 FYN (0.34) CYP11B1ALDH1A1
SCHEMBL313972 0.73 KDM4E (0.35) CYP11B1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL316426 0.73 FYN (0.34) CYP11B1ALDH1A1

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 CNR2 2597/4885CYP11B1 295/4885NPC1 3293/4885

“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.