SCHEMBL4558713

SCHEMBL4558713

C=CCO[C@H]1C[C@H](C(=O)O)C(C(=O)N2CCN(c3ccccc3)CC2)N(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 14/20 0.47
ERBB2 P04626 13/20 0.47
MMP2 P08253 13/20 0.47
SIGMAR1 Q99720 1/20 0.45
MMP9 P14780 8/20 0.43
MMP3 P08254 7/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TFPI2 P48307 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3457135 1.00 ADAM10 (0.47) ADAM10ERBB2MMP2SIGMAR1MMP9
SCHEMBL3456887 0.91 ADAM10 (0.59) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457263 0.90 ADAM10 (0.49) ADAM10ERBB2MMP2SIGMAR1MMP9
SCHEMBL2176385 0.84 ADAM10 (0.59) ADAM10ERBB2MMP2SIGMAR1MMP9
SCHEMBL3457502 0.83 ADAM10 (0.53) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457310 0.83 ADAM10 (0.56) ADAM10ERBB2MMP2SIGMAR1MMP9
SCHEMBL2171769 0.83 ADAM10 (0.71) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3458696 0.81 ADAM10 (0.47) ADAM10ERBB2MMP2SIGMAR1MMP9
SCHEMBL3458128 0.81 ADAM10 (0.52) ADAM10ERBB2MMP2SIGMAR1MMP9
SCHEMBL2173077 0.81 ADAM10 (0.52) ADAM10ERBB2MMP2SIGMAR1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 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 (1 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-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ADAM10 26/4885ERBB2 3036/4885MMP2 2/4885

“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.