SCHEMBL2141900

SCHEMBL2141900

Cc1cc(-c2cncc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 14/20 0.36
GRIN1 Q05586 4/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
AKT1 P31749 1/20 0.35
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
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2141905 1.00 GRIN2B (0.36) GRIN2BGRIN1CYP11B1CYP11B2AKT1
SCHEMBL2143178 0.91 CYP11B2 (0.38) CYP11B1CYP11B2AKT1CHRNB1CHRNB2
SCHEMBL2143182 0.91 CYP11B2 (0.38) CYP11B1CYP11B2AKT1CHRNB1CHRNB2
SCHEMBL2139781 0.90 CYP11B1 (0.34) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL2142910 0.90 CYP11B1 (0.38) GRIN2BGRIN1CYP11B1CYP11B2CHRNB1
SCHEMBL2139777 0.90 CYP11B1 (0.34) CYP11B1CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL2142902 0.90 CYP11B1 (0.38) GRIN2BGRIN1CYP11B1CYP11B2CHRNB1
SCHEMBL2141431 0.87 CHRNB1 (0.45) GRIN2BGRIN1CYP11B1CYP11B2AKT1
SCHEMBL2141428 0.87 CHRNB1 (0.45) GRIN2BGRIN1CYP11B1CYP11B2AKT1
SCHEMBL2142982 0.86 PDGFRB (0.40) GRIN2BGRIN1CYP11B1CYP11B2CYP1A2

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 GRIN2B 4797/4885GRIN1 4681/4885CYP11B1 221/4885

“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.