SCHEMBL2249780

SCHEMBL2249780

CCC(C)c1ccc(-c2ccc(C(=O)N([C@@H](CCC(=O)O)C(N)=O)C(C)(C)Cc3ccccc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
ADAMTS4 O75173 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
OPRD1 P41143 1/20 0.33
ALOX5 P09917 1/20 0.32
TSHR P16473 1/20 0.32
NR3C1 P04150 1/20 0.32
OPRK1 P41145 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL4622703 0.89 MMP2 (0.35) MMP2ALDH1A1MAPTHPGDTRPM8
SCHEMBL2251275 0.85 MMP12 (0.40) MMP12ADAMTS5MMP2MMP8ALDH1A1
SCHEMBL2249342 0.84 MMP12 (0.43) MMP12ADAMTS5MMP2MMP8ALDH1A1
SCHEMBL2245097 0.83 KMT2A (0.37) MMP12ADAMTS5MMP2MMP8ALDH1A1
SCHEMBL2247535 0.83 MMP12 (0.40) MMP12ADAMTS5MMP2MMP8ALDH1A1
SCHEMBL2248530 0.82 PDE4A (0.45) MAPTHPGD
SCHEMBL2249890 0.82 MMP12 (0.48) MMP12ADAMTS5MMP2MMP8ADAMTS4
SCHEMBL2247710 0.82 ADAMTS5 (0.38) MMP12ADAMTS5MMP2MMP8TSHR
SCHEMBL2248047 0.80 GABRA1 (0.45) ALDH1A1HPGDALOX5TSHR
SCHEMBL2245812 0.80 HDAC1 (0.37) ADAMTS5MMP2ALDH1A1MAPTHPGD

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 6 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-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 MMP12 54/4885ADAMTS5 1/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP12 54/4885ADAMTS5 1/4885MMP2 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.