SCHEMBL4359340

SCHEMBL4359340

C=Cc1ccc(CN[C@@H](CCC(N)=O)C(=O)OC(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
SLC1A5 Q15758 1/20 0.37
SRR Q9GZT4 2/20 0.36
PSAT1 Q9Y617 2/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TLR2 O60603 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC1 Q13547 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL4369490 0.87 KDM4E (0.44) KDM4EMMP2MMP9SLC1A5TLR2
SCHEMBL5653527 0.86 SMN1; SMN2 (0.47) KDM4EMMP2MMP9SLC1A5SMN1; SMN2
SCHEMBL5651085 0.84 RAB9A (0.43) KDM4EMMP2MMP9EPHX2NR1H4
SCHEMBL4365892 0.80 KDM4E (0.42) KDM4EMMP2MMP9SLC1A5SMN1; SMN2
SCHEMBL5655905 0.80 KDM4E (0.42) KDM4EMMP2MMP9SLC1A5HDAC1
SCHEMBL2251695 0.78 SMN1; SMN2 (0.45) KDM4EHDAC1SMN1; SMN2POLBALDH1A1
SCHEMBL5654173 0.78 KDM4E (0.44) KDM4EMMP2MMP9SLC1A5EPHX2
SCHEMBL4358335 0.78 POLB (0.45) KDM4EMMP2MMP9SLC1A5SMN1; SMN2
SCHEMBL4370877 0.77 AOC3 (0.39) KDM4EMMP2MMP9SLC1A5
SCHEMBL4361261 0.77 MGLL (0.46) KDM4EHDAC2LMNA

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-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KDM4E 1232/4885MMP2 49/4885MMP9 27/4885

“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.