Sugi Predict

Sugi Predict / Compounds / SCHEMBL3458170

SCHEMBL3458170

SCHEMBL3458170

CCOC(C)O[C@H](COS(=O)(=O)c1ccc(C)cc1)CN(Cc1ccccc1)[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ CNR2 P34972 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TAS2R14 Q9NYV8 2/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LIMK2 P53671 1/20 0.34
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL3457756 1.00 POLB (0.38) POLBCNR2ALDH1A1MAPTOPRM1
SCHEMBL6023715 0.87 POLB (0.38) POLBCNR2ALDH1A1MAPTOPRM1
SCHEMBL6024794 0.87 POLB (0.38) POLBCNR2ALDH1A1MAPTOPRM1
SCHEMBL2174420 0.84 LMNA (0.37) POLBALDH1A1MAPTOPRM1OPRD1
SCHEMBL2173108 0.84 LMNA (0.37) POLBALDH1A1MAPTOPRM1OPRD1
SCHEMBL6024693 0.83 BACE1 (0.40) POLBCNR2ALDH1A1TAS2R14MCHR1
SCHEMBL3457301 0.83 BACE1 (0.40) POLBCNR2ALDH1A1TAS2R14MCHR1
SCHEMBL3458080 0.83 BACE1 (0.40) POLBCNR2ALDH1A1TAS2R14MCHR1
SCHEMBL6024628 0.83 BACE1 (0.40) POLBCNR2ALDH1A1TAS2R14MCHR1
SCHEMBL3026229 0.73 TAS2R14 (0.46) POLBCNR2ALDH1A1MAPTOPRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2015-01-22 — — US disclosed
US-8853243-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2014-10-07 — — US disclosed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 — — EP disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 — — US disclosed
EP-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 — — EP disclosed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 — — 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 (2 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-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP2, MMP14 POLB 1479/4885CNR2 3255/4885ALDH1A1 497/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 POLB 2157/4885CNR2 2554/4885ALDH1A1 415/4885

“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.