SCHEMBL315116

SCHEMBL315116

Cc1ccc(-c2cncc(O[C@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA7 P36544 1/20 0.31
P2RX7 Q99572 2/20 0.31
FYN P06241 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
SCHEMBL315115 1.00 CYP3A4 (0.36) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL315152 0.87 CHRNA7 (0.35) CYP3A4CYP2A6CHRNA7
SCHEMBL315686 0.87 GRM5 (0.32) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL2417131 0.87 KDM1A (0.38) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL2417135 0.87 KDM1A (0.38) CYP3A4CYP2A6CCR1CCR5CCR8
SCHEMBL315153 0.87 CHRNA7 (0.35) CYP3A4CYP2A6CHRNA7
SCHEMBL315687 0.87 GRM5 (0.32) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL2142250 0.86 CHRNB1 (0.41) CYP3A4CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2142244 0.86 CHRNB1 (0.41) CYP3A4CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL315050 0.86 CYP2A6 (0.40) CYP2A6CCR1CCR5CCR8CHRNB1

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 CYP3A4 126/4885CYP2A6 158/4885CCR1 4535/4885

“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.