SCHEMBL315050

SCHEMBL315050

Cc1ccnc(-c2cncc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
ADORA3 P0DMS8 3/20 0.33
ABL1 P00519 2/20 0.32
BCR P11274 2/20 0.32
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNB3 Q05901 1/20 0.31
METAP2 P50579 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
SCHEMBL315051 1.00 CYP2A6 (0.40) CYP2A6CCR1CCR5CCR8ADORA3
SCHEMBL2417188 0.86 ABL1 (0.39) CYP2A6CCR1CCR5CCR8ADORA3
SCHEMBL315116 0.86 CYP3A4 (0.36) CYP2A6CCR1CCR5CCR8CHRNB1
SCHEMBL2417193 0.86 ABL1 (0.39) CYP2A6CCR1CCR5CCR8ADORA3
SCHEMBL315115 0.86 CYP3A4 (0.36) CYP2A6CCR1CCR5CCR8CHRNB1
SCHEMBL316277 0.84 CYP11B2 (0.32) ADORA3ABL1
SCHEMBL316275 0.84 CYP11B2 (0.32) ADORA3ABL1
SCHEMBL315085 0.83 CYP11B2 (0.37) ABL1
SCHEMBL315084 0.83 CYP11B2 (0.37) ABL1
SCHEMBL2142244 0.83 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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 CYP2A6 158/4885CCR1 4535/4885CCR5 3202/4885

“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.