SCHEMBL2172165

SCHEMBL2172165

CC(C)(C)OC(=O)CC(NCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
SYK P43405 1/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
TMPRSS11D O60235 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
CACNA1B Q00975 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
POLB P06746 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
PPARA Q07869 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL2172158 1.00 ITGA4 (0.47) ITGA4ITGB7SYKMAPTXBP1
SCHEMBL12570556 0.87 SYK (0.47) SYKMAPTXBP1NPSR1TDP1
SCHEMBL2171165 0.87 TRPM8 (0.50) ITGA4ITGB7MAPTTRPM8ATM
SCHEMBL27671960 0.87 TRPM8 (0.50) ITGA4ITGB7MAPTTRPM8ATM
SCHEMBL15850777 0.87 ITGA4 (0.48) ITGA4ITGB7MAPTTMPRSS11DCA12
SCHEMBL2543367 0.86 ALDH1A1 (0.51) ITGA4ITGB7MAPTTDP1TRPM8
SCHEMBL29398102 0.85 SYK (0.57) SYKKLK7KLK5CACNA1BPPARA
SCHEMBL15423734 0.84 ITGA4 (0.58) ITGA4ITGB7MAPTNPSR1TDP1
SCHEMBL3834280 0.82 KLK5 (0.46) ITGA4ITGB7SYKMAPTXBP1
SCHEMBL28406623 0.82 CASP1 (0.50) ITGA4ITGB7MAPTTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
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
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 US disclosed
CN-1898234-A Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORP (US) 2007-01-17 CN disclosed
EP-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 US 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 (4 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 ITGA4 3072/4885ITGB7 3158/4885SYK 1226/4885
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP2, MMP14 ITGA4 2851/4885ITGB7 3037/4885SYK 1283/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 ITGA4 2505/4885ITGB7 3329/4885SYK 1869/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ITGA4 2851/4885ITGB7 3037/4885SYK 1283/4885

“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.