SCHEMBL2142874

SCHEMBL2142874

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cnccc1-c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.41
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
CYP11B2 P19099 10/20 0.34
CYP11B1 P15538 8/20 0.34
XDH P47989 1/20 0.32
ROCK2 O75116 1/20 0.32
JAK2 O60674 1/20 0.31
IGF1R P08069 1/20 0.31
PDGFRB P09619 1/20 0.31
MAPT P10636 1/20 0.31
KIT P10721 1/20 0.31
PIM1 P11309 1/20 0.31
JAK1 P23458 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
PRKCQ Q04759 1/20 0.31
BTK Q06187 1/20 0.31
MAPK14 Q16539 1/20 0.31
AURKB Q96GD4 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
SCHEMBL2142879 1.00 SLC22A12 (0.41) SLC22A12GSK3AGSK3BCYP11B2CYP11B1
SCHEMBL314689 0.89 SLC22A12 (0.32) SLC22A12
SCHEMBL314690 0.89 SLC22A12 (0.32) SLC22A12
SCHEMBL2141887 0.87 CACNA1B (0.38) SLC22A12GSK3AGSK3BCYP11B2JAK2
SCHEMBL2141893 0.87 CACNA1B (0.38) SLC22A12GSK3AGSK3BCYP11B2JAK2
SCHEMBL5281609 0.86 SLC22A12 (0.39) SLC22A12GSK3AGSK3BAURKB
SCHEMBL2139628 0.86 SLC22A12 (0.39) SLC22A12GSK3AGSK3BAURKB
SCHEMBL1975747 0.85 SLC22A12 (0.32) SLC22A12
SCHEMBL316661 0.85 MKNK1 (0.36) SLC22A12CYP11B2CYP11B1MAPT
SCHEMBL1975750 0.85 SLC22A12 (0.32) SLC22A12

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 SLC22A12 3276/4885GSK3A 2520/4885GSK3B 2110/4885

“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.