SCHEMBL2140352

SCHEMBL2140352

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB3 Q05901 1/20 0.40
XDH P47989 1/20 0.37
DYRK1A Q13627 2/20 0.36
GRM5 P41594 3/20 0.33
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
MAP4K4 O95819 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALPL P05186 1/20 0.32
PIP4K2B P78356 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 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
SCHEMBL2140348 1.00 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL314868 0.90 ABL1 (0.33) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL314867 0.90 ABL1 (0.33) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL314606 0.88 CYP11B1 (0.36) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL2142902 0.88 CYP11B1 (0.38) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL2142910 0.88 CYP11B1 (0.38) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL2138627 0.88 CYP11B2 (0.38) DYRK1ACYP11B2CYP11B1
SCHEMBL2138631 0.88 CYP11B2 (0.38) DYRK1ACYP11B2CYP11B1
SCHEMBL314605 0.88 CYP11B1 (0.36) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL2142244 0.88 CHRNB1 (0.41) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3

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 CHRNB4 4821/4885CHRNA3 4832/4885CHRNB2 4818/4885

“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.