SCHEMBL315142

SCHEMBL315142

COc1ncc(-c2cncc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CHEK1 O14757 1/20 0.32
CYP11B2 P19099 5/20 0.32
CYP11B1 P15538 3/20 0.32
CYP1A2 P05177 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
FYN P06241 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PIK3CA P42336 1/20 0.31
CHRNB1 P11230 2/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNB3 Q05901 2/20 0.31
PRMT5 O14744 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
SCHEMBL315143 1.00 FTO (0.36) FTOCYP1A1CYP1B1CHEK1CYP11B2
SCHEMBL315032 0.90 CYP1A1 (0.41) CYP1A1CYP1B1CYP11B2CYP11B1CYP1A2
SCHEMBL315031 0.90 CYP1A1 (0.41) CYP1A1CYP1B1CYP11B2CYP11B1CYP1A2
SCHEMBL314972 0.86 CHRNB1 (0.36) ADORA3CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL314973 0.86 CHRNB1 (0.36) ADORA3CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2141227 0.86 CYP11B1 (0.43) CYP1A1CYP1B1CYP11B2CYP11B1CYP1A2
SCHEMBL2141216 0.86 CYP11B1 (0.43) CYP1A1CYP1B1CYP11B2CYP11B1CYP1A2
SCHEMBL314994 0.85 HSD17B1 (0.38) CYP11B2CYP11B1CYP1A2MKNK1MKNK2
SCHEMBL314993 0.85 HSD17B1 (0.38) CYP11B2CYP11B1CYP1A2MKNK1MKNK2
SCHEMBL2409614 0.85 FTO (0.40) FTOCYP1A2CYP3A4FYNADORA3

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 FTO 371/4885CYP1A1 291/4885CYP1B1 427/4885

“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.