SCHEMBL2138203

SCHEMBL2138203

COc1ccc(-c2nccc(C)c2O[C@@H]2SC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
CACNA1B Q00975 1/20 0.33
GRM1 Q13255 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GRM5 P41594 1/20 0.32
PPARD Q03181 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
CYP2D6 P10635 3/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAT2A P31153 1/20 0.32
SLC2A1 P11166 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 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
SCHEMBL2142166 1.00 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDCACNA1BGRM1
SCHEMBL3397292 0.85 PTPN1 (0.34) GAA
SCHEMBL315135 0.85 PTPN1 (0.34) GAA
SCHEMBL3399022 0.84 CYP2A6 (0.37) ALDH1A1KDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL314611 0.84 CYP2A6 (0.37) ALDH1A1KDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL314209 0.81
SCHEMBL314210 0.81
SCHEMBL2142245 0.80 MAPKAPK2 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL2142238 0.80 MAPKAPK2 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL314667 0.79 BRD4 (0.32) CYP2D6CYP2C9CYP2C19

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 ALDH1A1 839/4885KDM4E 1733/4885HPGD 348/4885

“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.