SCHEMBL2248309

SCHEMBL2248309

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCC1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.58
ADAMTS4 O75173 1/20 0.58
MMP12 P39900 2/20 0.55
MMP2 P08253 1/20 0.55
MMP8 P22894 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
F10 P00742 3/20 0.48
PRSS1 P07477 3/20 0.48
CTSB P07858 2/20 0.47
CTSS P25774 1/20 0.47

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
SCHEMBL2246450 0.83 ADAMTS5 (0.61) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL3576509 0.81 ADAMTS5 (0.62) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2244951 0.81 ADAMTS5 (0.58) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2245265 0.81 L3MBTL1 (0.72) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2245703 0.80 ADAMTS5 (0.57) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2245220 0.80 ADAMTS5 (0.57) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2244577 0.80 ADAMTS5 (0.69) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2245074 0.80 ADAMTS5 (0.60) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2247413 0.80 ADAMTS5 (0.60) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2249357 0.80 NPC1 (0.67) ADAMTS5ADAMTS4MMP12MMP2MMP8

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-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
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 ADAMTS5 1/4885ADAMTS4 5/4885MMP12 54/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885ADAMTS4 5/4885MMP12 54/4885

“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.