SCHEMBL2248084

SCHEMBL2248084

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1cccc(-c2cccs2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.57
MMP12 P39900 3/20 0.54
ADAMTS5 Q9UNA0 2/20 0.52
ADAMTS4 O75173 1/20 0.52
MMP2 P08253 3/20 0.51
MMP8 P22894 2/20 0.51
MMP10 P09238 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
HDAC1 Q13547 5/20 0.48
CTSL P07711 1/20 0.48
CTSK P43235 1/20 0.48
KDM1A O60341 5/20 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
SCHEMBL3582721 0.94 HPGDS (0.61) HPGDSMMP12ADAMTS5ADAMTS4MMP2
SCHEMBL3585812 0.90 PADI6 (0.52) HPGDSMMP12MMP2MMP8MMP10
SCHEMBL2245982 0.86 KDM1A (0.58) MMP12ADAMTS5ADAMTS4MMP2MMP8
SCHEMBL2245223 0.85 HPGDS (0.55) HPGDSMMP12ADAMTS5ADAMTS4MMP2
SCHEMBL3576509 0.84 ADAMTS5 (0.62) MMP12ADAMTS5ADAMTS4MMP2MMP8
SCHEMBL2246335 0.83 MMP2 (0.58) MMP12ADAMTS5ADAMTS4MMP2MMP8
SCHEMBL2245471 0.83 MMP2 (0.69) MMP12ADAMTS5ADAMTS4MMP2MMP8
SCHEMBL2247941 0.83 MMP2 (0.56) MMP12ADAMTS5ADAMTS4MMP2MMP8
SCHEMBL3591190 0.83 CTSB (0.55) HPGDSMMP12ADAMTS5ADAMTS4MMP2
SCHEMBL2246572 0.83 MMP12 (0.69) HPGDSMMP12ADAMTS5ADAMTS4MMP2

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-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 HPGDS 1417/4885MMP12 54/4885ADAMTS5 1/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HPGDS 1417/4885MMP12 54/4885ADAMTS5 1/4885

“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.