SCHEMBL3583969

SCHEMBL3583969

O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)c1)C(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PADI6 Q6TGC4 1/20 0.64
HPGDS O60760 1/20 0.58
MMP2 P08253 1/20 0.56
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
CFD P00746 1/20 0.54
CCKBR P32239 1/20 0.53
P2RY12 Q9H244 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGA5 P08648 1/20 0.52
MDM2 Q00987 1/20 0.52

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
SCHEMBL3576509 0.89 ADAMTS5 (0.62) MMP2EPHX2NR1H4CCKBR
SCHEMBL3591190 0.88 CTSB (0.55) PADI6HPGDSMMP2CCKBR
SCHEMBL3585812 0.87 PADI6 (0.52) PADI6HPGDSMMP2CCKBR
SCHEMBL3587165 0.86 MMP2 (0.55) PADI6MMP2CCKBR
SCHEMBL3584960 0.85 CTSL (0.55) PADI6MMP2CCKBR
SCHEMBL2247747 0.85 KDM1A (0.53) MMP2CCKBR
SCHEMBL3579414 0.85 ADAMTS5 (0.57) MMP2EPHX2NR1H4CCKBR
SCHEMBL2249522 0.84 ADAMTS5 (0.54) PADI6MMP2NR1H4CCKBR
SCHEMBL2247866 0.84 ADAMTS5 (0.56) PADI6MMP2EPHX2NR1H4CCKBR
SCHEMBL2247917 0.83 CTSL (0.60) PADI6MMP2

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-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

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 PADI6 284/4885HPGDS 1417/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PADI6 284/4885HPGDS 1417/4885MMP2 49/4885

“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.