SCHEMBL2138955

SCHEMBL2138955

O[C@@H]1[C@@H](O)[C@H](Oc2cnccc2-c2ccc(F)cc2)SC[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.39
CACNA1B Q00975 2/20 0.36
SLC22A12 Q96S37 1/20 0.34
MAPK14 Q16539 8/20 0.34
CYP11B2 P19099 3/20 0.33
CYP11B1 P15538 2/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 0.32
CYP17A1 P05093 1/20 0.32
KDR P35968 1/20 0.31

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
SCHEMBL2138959 1.00 RPS6KA3 (0.39) RPS6KA3CACNA1BSLC22A12MAPK14CYP11B2
SCHEMBL315521 0.90 CYP1A2 (0.31) RPS6KA3
SCHEMBL315520 0.90 CYP1A2 (0.31) RPS6KA3
SCHEMBL2142775 0.87 CACNA1B (0.39) CACNA1BSLC22A12CYP11B2CYP11B1
SCHEMBL2142779 0.87 CACNA1B (0.39) CACNA1BSLC22A12CYP11B2CYP11B1
SCHEMBL2141856 0.86 RPS6KA3 (0.41) RPS6KA3CACNA1BSLC22A12CYP11B2CYP11B1
SCHEMBL2141850 0.86 RPS6KA3 (0.41) RPS6KA3CACNA1BSLC22A12CYP11B2CYP11B1
SCHEMBL315265 0.85 HPGDS (0.37) CYP11B2CYP11B1GSK3B
SCHEMBL315266 0.85 HPGDS (0.37) CYP11B2CYP11B1GSK3B
SCHEMBL2141864 0.85 SLC22A12 (0.40) SLC22A12CYP11B2CYP11B1GSK3AGSK3B

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 RPS6KA3 1866/4885CACNA1B 4674/4885SLC22A12 3276/4885

“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.