SCHEMBL3457449

SCHEMBL3457449

CC(=O)N1CCC(O[C@@H]2CC[C@H](C(=O)N3CCN(c4ccccc4)CC3)[C@@H](C(=O)O)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
ADAM10 O14672 13/20 0.48
ERBB2 P04626 13/20 0.48
MMP2 P08253 13/20 0.48
NAMPT P43490 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
TFPI2 P48307 1/20 0.45
MMP9 P14780 10/20 0.44
MMP3 P08254 6/20 0.44
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL2176925 0.92 ADAM10 (0.49) SIGMAR1ADAM10ERBB2MMP2NAMPT
SCHEMBL2172688 0.90 ADAM10 (0.61) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457435 0.81 SIGMAR1 (0.54) SIGMAR1ADAM10ERBB2MMP2CTSB
SCHEMBL2173742 0.81 ADAM10 (0.60) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457735 0.79 EPHX2 (0.35)
SCHEMBL2174896 0.79 ADAM10 (0.64) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2173866 0.78 ADAM10 (0.59) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2176927 0.77 LMNA (0.43) SIGMAR1ADAM10ERBB2MMP2NAMPT
SCHEMBL2174261 0.77 ADAM10 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3456417 0.76 SIGMAR1 (0.60) SIGMAR1ADAM10ERBB2MMP2CTSB

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 4 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

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 SIGMAR1 3105/4885ADAM10 26/4885ERBB2 3036/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 SIGMAR1 3239/4885ADAM10 25/4885ERBB2 3033/4885

“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.