SCHEMBL2141964

SCHEMBL2141964

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
ABL1 P00519 9/20 0.36
SCN9A Q15858 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
OPRM1 P35372 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL2141989 1.00 PIP4K2A (0.39) PIP4K2ASCN10APRMT6ABL1SCN9A
SCHEMBL2140023 0.88 CHRNB1 (0.43) CYP11B1CYP11B2
SCHEMBL2142139 0.88 CHRNB1 (0.43) CYP11B1CYP11B2
SCHEMBL2140348 0.86 CHRNB4 (0.40) CYP11B1CYP11B2
SCHEMBL2140352 0.86 CHRNB4 (0.40) CYP11B1CYP11B2
SCHEMBL2141227 0.85 CYP11B1 (0.43) CYP11B1CYP11B2
SCHEMBL2141216 0.85 CYP11B1 (0.43) CYP11B1CYP11B2
SCHEMBL2142297 0.84 CHRNB2 (0.40) SCN10AADORA3
SCHEMBL2142301 0.84 CHRNB2 (0.40) SCN10AADORA3
SCHEMBL2142244 0.84 CHRNB1 (0.41) PRMT5WDR77CYP11B1CYP11B2

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 PIP4K2A 2296/4885SCN10A 3761/4885PRMT6 1868/4885

“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.