SCHEMBL2142297

SCHEMBL2142297

O[C@@H]1[C@@H](O)[C@H](Oc2cncc(-c3ccc(Cl)cc3)c2)SC[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB3 Q05901 1/20 0.40
MAP4K4 O95819 2/20 0.37
XDH P47989 2/20 0.37
SLC22A12 Q96S37 2/20 0.37
INPPL1 O15357 3/20 0.34
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
SCN10A Q9Y5Y9 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
SCHEMBL2142301 1.00 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL315871 0.90 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL315872 0.90 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL315644 0.88 CYP2A6 (0.37) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL315645 0.88 CYP2A6 (0.37) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL2140352 0.88 CHRNB4 (0.40) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL2140348 0.88 CHRNB4 (0.40) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL2142244 0.88 CHRNB1 (0.41) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL2142250 0.88 CHRNB1 (0.41) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL315430 0.88 ADORA3 (0.32) CHRNB2MAP4K4MKNK1MKNK2CHRNA4

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-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
EP-1861411-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2007-12-05 EP disclosed
WO-2006100413-A9 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF FOURNIER LAB SA (FR) 2007-10-18 WO disclosed
WO-2006100413-A2 NOVEL COMPOUNDS DERIVED FROM 5-THIOXYLOSE AND THERAPEUTIC USE THEREOF LABORATOIRES FOURNIER S.A. (FR) 2006-09-28 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-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics TPMT, STS, TBXAS1 CHRNB2 4818/4885CHRNB4 4821/4885CHRNA3 4832/4885

“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.