SCHEMBL3457734

SCHEMBL3457734

O=C(O)[C@H]1C[C@@H](O)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.60
ADAM10 O14672 9/20 0.59
ERBB2 P04626 9/20 0.59
MMP2 P08253 9/20 0.59
TFPI2 P48307 1/20 0.54
MMP9 P14780 5/20 0.52
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
TSHR P16473 4/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3456417 1.00 SIGMAR1 (0.60) SIGMAR1ADAM10ERBB2MMP2TFPI2
SCHEMBL2172824 0.87 ADAM10 (0.57) SIGMAR1ADAM10ERBB2MMP2TFPI2
SCHEMBL27671953 0.87 ADAM10 (0.57) SIGMAR1ADAM10ERBB2MMP2TFPI2
SCHEMBL2172763 0.87 ADAM10 (0.75) SIGMAR1ADAM10ERBB2MMP2MMP9
SCHEMBL2173711 0.87 ADAM10 (0.57) SIGMAR1ADAM10ERBB2MMP2TFPI2
SCHEMBL27651741 0.85 ALDH1A1 (0.46) SIGMAR1ADAM10ERBB2MMP2TFPI2
SCHEMBL3457435 0.81 SIGMAR1 (0.54) SIGMAR1ADAM10ERBB2MMP2TFPI2
SCHEMBL3457211 0.78 ADAM10 (0.56) SIGMAR1ADAM10ERBB2MMP2TFPI2
SCHEMBL3457143 0.78 SIGMAR1 (0.51) SIGMAR1ADAM10ERBB2MMP2TFPI2
SCHEMBL3457901 0.78 SIGMAR1 (0.51) SIGMAR1ADAM10ERBB2MMP2TFPI2

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-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
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 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 (3 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
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 SIGMAR1 3105/4885ADAM10 26/4885ERBB2 3036/4885

“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.