SCHEMBL3584703

SCHEMBL3584703

O=C(O)CC[C@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.49
MMP2 P08253 1/20 0.48
SRD5A2 P31213 1/20 0.47
PADI4 Q9UM07 1/20 0.45
PADI2 Q9Y2J8 1/20 0.45
KDM1A O60341 4/20 0.44
MAOA P21397 1/20 0.44
PADI6 Q6TGC4 1/20 0.44
KDM1B Q8NB78 1/20 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
SCHEMBL2242388 0.92 MMP2 (0.50) CCKBRMMP2
SCHEMBL2248774 0.88 CCKBR (0.51) CCKBR
SCHEMBL2245195 0.87 MMP2 (0.61) MMP2
SCHEMBL2246128 0.87 CCKBR (0.50) CCKBRSRD5A2
SCHEMBL2252195 0.86 SRD5A2 (0.50) CCKBRSRD5A2
SCHEMBL3589250 0.85 PTPRC (0.52) CCKBRMMP2PADI6
SCHEMBL2252339 0.84 CCKBR (0.48) CCKBR
SCHEMBL2247776 0.84 ROCK2 (0.52) SRD5A2
SCHEMBL2248214 0.84 HPGDS (0.57) MMP2SRD5A2
SCHEMBL2247972 0.83 CCKBR (0.49) CCKBR

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-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
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 CCKBR 2177/4885MMP2 49/4885SRD5A2 3124/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CCKBR 2177/4885MMP2 49/4885SRD5A2 3124/4885

“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.