SCHEMBL2140393

SCHEMBL2140393

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccnc1C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALOX12 P18054 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2140403 1.00 L3MBTL1 (0.35) L3MBTL1KDM4EALDH1A1HPGDMAPT
SCHEMBL2141481 0.89 AXL (0.33) L3MBTL1KDM4EALDH1A1HPGDMAPT
SCHEMBL1978407 0.87 GRIN1 (0.34) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL1973109 0.87 GRIN1 (0.36)
SCHEMBL1978405 0.87 GRIN1 (0.34) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL1973110 0.87 GRIN1 (0.36)
SCHEMBL5410717 0.87 ALDH1A1 (0.37) L3MBTL1KDM4EALDH1A1HPGDMAPT
SCHEMBL2142968 0.87 ALDH1A1 (0.37) L3MBTL1KDM4EALDH1A1HPGDMAPT
SCHEMBL1975331 0.86 KDM4E (0.35) L3MBTL1KDM4EALDH1A1HPGDMAPT
SCHEMBL3194634 0.86 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTLMNA

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 L3MBTL1 1133/4885KDM4E 1733/4885ALDH1A1 839/4885

“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.