SCHEMBL3587600

SCHEMBL3587600

O=C(O)CC[C@H](NC(=O)c1ccc(Br)nc1)C(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.48
MMP2 P08253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
CCKBR P32239 1/20 0.46
KLKB1 P03952 2/20 0.46
NFKB1 P19838 1/20 0.45
PSMB5 P28074 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PADI4 Q9UM07 1/20 0.44
PADI2 Q9Y2J8 1/20 0.44
ADAMTS4 O75173 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
KDM1A O60341 2/20 0.44

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
SCHEMBL1542987 0.87 HPGDS (0.67) HPGDSMMP2L3MBTL1CCKBRKLKB1
SCHEMBL1543187 0.87 HPGDS (0.67) HPGDSMMP2L3MBTL1CCKBRKLKB1
SCHEMBL2247214 0.87 MMP2 (0.56) MMP2MMP13KLKB1
SCHEMBL12356365 0.86 GRN (0.47) HPGDSMMP2L3MBTL1KLKB1NFKB1
SCHEMBL3588293 0.85 HSP90AA1 (0.52) MMP2MMP12CCKBRPADI4ADAMTS4
SCHEMBL3576509 0.83 ADAMTS5 (0.62) MMP2L3MBTL1HDAC1MMP12MMP13
SCHEMBL2247747 0.82 KDM1A (0.53) MMP2MMP12CCKBRPADI4ADAMTS4
SCHEMBL7741064 0.81 MMP2 (0.54) MMP2MMP12CCKBRNFKB1PSMB5
SCHEMBL7741059 0.81 MMP2 (0.54) MMP2MMP12CCKBRNFKB1PSMB5
SCHEMBL2246427 0.80 HPGDS (0.52) HPGDSMMP2MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
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 (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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 HPGDS 1417/4885MMP2 49/4885L3MBTL1 4308/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HPGDS 1417/4885MMP2 49/4885L3MBTL1 4308/4885

“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.