SCHEMBL2139791

SCHEMBL2139791

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
SMO Q99835 1/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CHRNA7 P36544 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
MAP4K4 O95819 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
SCHEMBL2139785 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL315252 0.90 CHRNB1 (0.40) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL315253 0.90 CHRNB1 (0.40) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL315430 0.90 ADORA3 (0.32) CHRNB2CHRNA4CYP11B2MKNK1MKNK2
SCHEMBL315429 0.90 ADORA3 (0.32) CHRNB2CHRNA4CYP11B2MKNK1MKNK2
SCHEMBL2138631 0.88 CYP11B2 (0.38) CYP11B2CYP11B1ADORA3
SCHEMBL2138627 0.88 CYP11B2 (0.38) CYP11B2CYP11B1ADORA3
SCHEMBL2142297 0.88 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL2140348 0.88 CHRNB4 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL2142244 0.88 CHRNB1 (0.41) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3

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 4818/4885CHRNA4 4853/4885CHRNB4 4821/4885

“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.