SCHEMBL315031

SCHEMBL315031

COc1cncc(-c2cncc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP11B2 P19099 12/20 0.40
CYP11B1 P15538 10/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
PIK3CG P48736 1/20 0.37
CYP2C19 P33261 1/20 0.36
FYN P06241 1/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35

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
SCHEMBL315032 1.00 CYP1A1 (0.41) CYP1A1CYP1B1CYP11B2CYP11B1CYP1A2
SCHEMBL2141227 0.93 CYP11B1 (0.43) CYP1A1CYP1B1CYP11B2CYP11B1CYP1A2
SCHEMBL2141216 0.93 CYP11B1 (0.43) CYP1A1CYP1B1CYP11B2CYP11B1CYP1A2
SCHEMBL2411967 0.91 CYP11B1 (0.41) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL2141651 0.91 CYP11B1 (0.41) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL2141660 0.91 CYP11B1 (0.41) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL2411961 0.91 CYP11B1 (0.41) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL315142 0.90 FTO (0.36) CYP1A1CYP1B1CYP11B2CYP11B1CYP1A2
SCHEMBL315143 0.90 FTO (0.36) CYP1A1CYP1B1CYP11B2CYP11B1CYP1A2
SCHEMBL314720 0.88 CYP2A6 (0.35) CYP1A1CYP1B1CYP11B2PIK3CGCHRNB2

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 3 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

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 CYP1A1 291/4885CYP1B1 427/4885CYP11B2 261/4885

“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.