SCHEMBL2247358

SCHEMBL2247358

CC(C)(Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)o1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.64
MMP2 P08253 1/20 0.64
MMP8 P22894 1/20 0.64
MMP12 P39900 1/20 0.64
ADAMTS4 O75173 1/20 0.51
SUCNR1 Q9BXA5 5/20 0.44
BMP1 P13497 1/20 0.43
S1PR4 O95977 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
C3AR1 Q16581 1/20 0.40

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
SCHEMBL2247767 0.94 ADAMTS5 (0.60) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL3577956 0.82 KDM4E (0.55) MMP2SUCNR1BMP1KDM4EMAPT
SCHEMBL2242407 0.82 ADAMTS5 (0.86) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2245862 0.82 ADAMTS5 (0.86) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2247314 0.80 ADAMTS5 (0.81) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2247800 0.79 HPGDS (0.52) MMP2MMP8MMP12SUCNR1S1PR4
SCHEMBL13196748 0.79 ADAMTS5 (0.83) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2244925 0.79 ADAMTS5 (0.79) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2245160 0.79 ADAMTS5 (0.79) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL3581142 0.78 MMP2 (0.47) ADAMTS5MMP2MMP8MMP12KDM4E

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 ADAMTS5 1/4885MMP2 49/4885MMP8 70/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885MMP2 49/4885MMP8 70/4885

“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.