SCHEMBL2140497

SCHEMBL2140497

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(-c2ccc(C#N)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 1/20 0.36
CHRNA7 P36544 1/20 0.35
MMP2 P08253 3/20 0.34
MMP3 P08254 2/20 0.34
CTSC P53634 1/20 0.33
MAPT P10636 2/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
PDE10A Q9Y233 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL2140499 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL314680 0.90 MELK (0.32) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL3401111 0.90 MELK (0.32) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL5275422 0.88 RXFP1 (0.44) ALDH1A1CHRNA7LMNARXFP1
SCHEMBL2138931 0.88 RXFP1 (0.44) ALDH1A1CHRNA7LMNARXFP1
SCHEMBL5283290 0.88 CHRNA7 (0.44) KDM1ACHRNA7LMNARXFP1
SCHEMBL2142885 0.88 CHRNA7 (0.44) KDM1ACHRNA7LMNARXFP1
SCHEMBL9351740 0.87 MAPT (0.37) ALDH1A1KDM4EMMP2MMP3MAPT
SCHEMBL9351733 0.87 MAPT (0.37) ALDH1A1KDM4EMMP2MMP3MAPT
SCHEMBL315134 0.86 CHRNA7 (0.33) CHRNA7MAPTRXFP1

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 2 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

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.