SCHEMBL2143265

SCHEMBL2143265

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MAT2A P31153 1/20 0.35
MAP2K5 Q13163 1/20 0.34
DYRK1A Q13627 2/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CACNA1B Q00975 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GRM1 Q13255 2/20 0.32
GRM5 P41594 1/20 0.32
CLK4 Q9HAZ1 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2143257 1.00 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAT2AMAP2K5
SCHEMBL315467 0.83 ADORA3 (0.31)
SCHEMBL315468 0.83 ADORA3 (0.31)
SCHEMBL316292 0.81 CYP2A6 (0.42) ALDH1A1KDM4EMAPTPTGS2
SCHEMBL316293 0.81 CYP2A6 (0.42) ALDH1A1KDM4EMAPTPTGS2
SCHEMBL2142381 0.81 KDM4E (0.47) ALDH1A1HPGDKDM4EMAT2AMAP2K5
SCHEMBL2142387 0.81 KDM4E (0.47) ALDH1A1HPGDKDM4EMAT2AMAP2K5
SCHEMBL2138220 0.77 MAPKAPK2 (0.40) DYRK1AMEN1KMT2AMAPTNPC1
SCHEMBL2138214 0.77 MAPKAPK2 (0.40) DYRK1AMEN1KMT2AMAPTNPC1
SCHEMBL2138203 0.77 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EMAT2APDE3B

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 839/4885HPGD 348/4885KDM4E 1733/4885

“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.