SCHEMBL2410261

SCHEMBL2410261

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(F)ccc2-c2ccncc2)SC[C@H]1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADORA2B P29275 4/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
GSK3B P49841 4/20 0.33
CDK2 P24941 4/20 0.33
CDK1 P06493 3/20 0.33
CDK9 P50750 3/20 0.33
CDK3 Q00526 3/20 0.33
CDK5 Q00535 3/20 0.33
GSK3A P49840 2/20 0.33
CCNT1 O60563 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNE1 P24864 2/20 0.33
CCNA1 P78396 2/20 0.33
CDK5R1 Q15078 2/20 0.33
GRM5 P41594 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
SCHEMBL2410257 1.00 MAPK14 (0.37) MAPK14CYP11B1CYP11B2ADORA2BADORA2A
SCHEMBL2410658 0.89 CYP11B1 (0.41) CYP11B1CYP11B2GRM5AKR1C3AKR1C2
SCHEMBL2410652 0.89 CYP11B1 (0.41) CYP11B1CYP11B2GRM5AKR1C3AKR1C2
SCHEMBL2411456 0.87 ADRA2A (0.36) MAPK14CYP11B1CYP11B2ADORA2BCDC7
SCHEMBL2411459 0.87 ADRA2A (0.36) MAPK14CYP11B1CYP11B2ADORA2BCDC7
SCHEMBL2141887 0.86 CACNA1B (0.38) MAPK14CYP11B2ADORA2BADORA2AADORA1
SCHEMBL2141893 0.86 CACNA1B (0.38) MAPK14CYP11B2ADORA2BADORA2AADORA1
SCHEMBL314690 0.85 SLC22A12 (0.32) ADORA2B
SCHEMBL314689 0.85 SLC22A12 (0.32) ADORA2B
SCHEMBL314410 0.84 AXL (0.31)

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-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 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-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 MAPK14 3563/4885CYP11B1 201/4885CYP11B2 198/4885

“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.