SCHEMBL2139089

SCHEMBL2139089

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3ccccc3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB1 P11230 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KDR P35968 2/20 0.32
CTSA P10619 1/20 0.32
MAP4K4 O95819 1/20 0.32
SSTR4 P31391 1/20 0.32
SSTR5 P35346 1/20 0.32

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
SCHEMBL2139085 1.00 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL315650 0.92 CHRNB1 (0.37) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL315649 0.92 CHRNB1 (0.37) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL314631 0.92 MKNK1 (0.34) MKNK1MKNK2CYP11B1CYP11B2XDH
SCHEMBL314632 0.92 MKNK1 (0.34) MKNK1MKNK2CYP11B1CYP11B2XDH
SCHEMBL2141252 0.91 XDH (0.38) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL2141249 0.91 XDH (0.38) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL316064 0.90 CHRNB1 (0.34) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL316063 0.90 CHRNB1 (0.34) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL2141882 0.90 CYP11B1 (0.39) MKNK1MKNK2CYP11B1CYP11B2KDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148407-B2 Compounds derived from 5-thioxylose and their use in therapeutics LABORATORIES FOURNIER S.A. (FR) 2012-04-03 US disclosed
US-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics INVENTIVA (FR) 2008-11-27 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-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics TPMT, STS, TBXAS1 CHRNB2 4818/4885CHRNA4 4853/4885CHRNB1 4192/4885

“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.