SCHEMBL3457634

SCHEMBL3457634

O=C(O)[C@H]1C[C@H](OCc2cccnc2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
ADAM10 O14672 2/20 0.44
ERBB2 P04626 2/20 0.44
MMP2 P08253 2/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
LMNA P02545 2/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
GRM5 P41594 1/20 0.42
TP53 P04637 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.41
MMP9 P14780 1/20 0.41
TFPI2 P48307 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL2176964 0.92 ADAM10 (0.44) SIGMAR1ADAM10ERBB2MMP2CHRM2
SCHEMBL2173799 0.91 ADAM10 (0.56) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL2171702 0.81 ADAM10 (0.64) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL3457591 0.81 ADAM10 (0.64) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL3457594 0.81 ADAM10 (0.64) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL2176970 0.79 CHRM2 (0.42) CHRM2CHRM1CHRM3LMNAGRM5
SCHEMBL3457435 0.77 SIGMAR1 (0.54) SIGMAR1ADAM10ERBB2MMP2LMNA
SCHEMBL2174818 0.74 ADAM10 (0.59) ADAM10ERBB2MMP2MMP9
SCHEMBL5638616 0.74 ADAM10 (0.59) ADAM10ERBB2MMP2MMP9
SCHEMBL3457734 0.72 SIGMAR1 (0.60) SIGMAR1ADAM10ERBB2MMP2LMNA

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.