SCHEMBL2249366

SCHEMBL2249366

CC(C)(Cc1ccc(Cl)s1)N[C@@H](CCC(N)=O)C(=O)OC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MMP2 P08253 3/20 0.36
MMP9 P14780 2/20 0.36
PRSS1 P07477 1/20 0.36
TMPRSS15 P98073 1/20 0.36
SLC1A5 Q15758 1/20 0.35
ADAMTS5 Q9UNA0 2/20 0.34
MMP12 P39900 2/20 0.34
MMP8 P22894 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ADAMTS4 O75173 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 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
SCHEMBL4365446 0.83 KDM4E (0.46) KDM4EMMP2MMP9SLC1A5ADAMTS5
SCHEMBL4621031 0.83 KDM4E (0.46) KDM4EMMP2MMP9SLC1A5ADAMTS5
SCHEMBL2247715 0.82 CYP3A4 (0.39) KDM4EMMP2ADAMTS5MMP12MMP8
SCHEMBL2245736 0.80 HPGDS (0.36) KDM4EMMP2PRSS1TMPRSS15ADAMTS5
SCHEMBL2251277 0.80 MMP2 (0.42) KDM4EMMP2MMP9PRSS1SLC1A5
SCHEMBL2247342 0.80 MMP2 (0.41) KDM4EMMP2MMP9PRSS1TMPRSS15
SCHEMBL2253122 0.80 MMP2 (0.41) KDM4EMMP2MMP9PRSS1TMPRSS15
SCHEMBL2248438 0.79 MMP2 (0.36) KDM4EMMP2MMP9PRSS1SLC1A5
SCHEMBL2249344 0.79 MMP2 (0.45) KDM4EMMP2MMP9PRSS1SLC1A5
SCHEMBL2245315 0.79 PRSS1 (0.38) KDM4EPRSS1TMPRSS15MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US claimed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 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 KDM4E 1232/4885MMP2 49/4885MMP9 27/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KDM4E 1232/4885MMP2 49/4885MMP9 27/4885

“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.