SCHEMBL2142902

SCHEMBL2142902

O[C@@H]1[C@@H](O)[C@H](Oc2cncc(-c3ccc(F)c(F)c3)c2)SC[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.38
CYP11B2 P19099 10/20 0.38
GRIN2B Q13224 3/20 0.34
GRIN1 Q05586 2/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
XDH P47989 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL2142910 1.00 CYP11B1 (0.38) CYP11B1CYP11B2GRIN2BGRIN1CHRNB1
SCHEMBL2141431 0.90 CHRNB1 (0.45) CYP11B1CYP11B2GRIN2BGRIN1CHRNB1
SCHEMBL2141900 0.90 GRIN2B (0.36) CYP11B1CYP11B2GRIN2BGRIN1CHRNB1
SCHEMBL2141428 0.90 CHRNB1 (0.45) CYP11B1CYP11B2GRIN2BGRIN1CHRNB1
SCHEMBL2143182 0.90 CYP11B2 (0.38) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL2141905 0.90 GRIN2B (0.36) CYP11B1CYP11B2GRIN2BGRIN1CHRNB1
SCHEMBL2143178 0.90 CYP11B2 (0.38) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL2140352 0.88 CHRNB4 (0.40) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL2140348 0.88 CHRNB4 (0.40) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL2140192 0.88 CYP11B1 (0.41) CYP11B1CYP11B2GRIN2BGRIN1PDGFRB

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 CYP11B1 221/4885CYP11B2 222/4885GRIN2B 4797/4885

“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.