SCHEMBL3578615

SCHEMBL3578615

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)c(F)c1)C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.49
PADI4 Q9UM07 1/20 0.49
BACE1 P56817 2/20 0.48
ADAMTS5 Q9UNA0 2/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
CCKBR P32239 1/20 0.47
KLKB1 P03952 1/20 0.47
PADI6 Q6TGC4 1/20 0.47
ADAMTS4 O75173 1/20 0.46
EGFR P00533 1/20 0.46

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 0.84 ADAMTS5 (0.62) MMP2ADAMTS5MMP8MMP12CCKBR
SCHEMBL3589250 0.84 PTPRC (0.52) MMP2CCKBRPADI6
SCHEMBL2250043 0.83 HPGDS (0.61) MMP2PADI4ADAMTS5MMP8MMP12
SCHEMBL3583969 0.83 PADI6 (0.64) MMP2CCKBRPADI6
SCHEMBL3584703 0.82 CCKBR (0.49) MMP2PADI4CCKBRPADI6
SCHEMBL2245328 0.81 MMP12 (0.70) MMP2ADAMTS5MMP8MMP12KLKB1
SCHEMBL3591190 0.81 CTSB (0.55) MMP2ADAMTS5MMP8MMP12CCKBR
SCHEMBL2244671 0.81 MMP2 (0.58) MMP2ADAMTS5MMP8MMP12CCKBR
SCHEMBL2246335 0.81 MMP2 (0.58) MMP2ADAMTS5MMP8MMP12ADAMTS4
SCHEMBL2247747 0.81 KDM1A (0.53) MMP2PADI4ADAMTS5MMP8MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
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 MMP2 49/4885PADI4 480/4885BACE1 332/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885PADI4 480/4885BACE1 332/4885

“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.