SCHEMBL2249693

SCHEMBL2249693

CC(C)(Cc1ccc(Cl)cc1)N(C(=O)c1ccc(-c2ccc(Br)s2)cc1)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.33
MMP12 P39900 3/20 0.32
MMP2 P08253 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 1/20 0.31
TSHR P16473 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
MAP4K4 O95819 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
GCGR P47871 1/20 0.30
GIPR P48546 1/20 0.30

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
SCHEMBL2248436 0.92 MMP12 (0.37) MMP12MMP2MMP8MMP13ADAMTS5
SCHEMBL2245791 0.91 MMP12 (0.40) MMP12MMP2MMP8MMP13ADAMTS5
SCHEMBL2254349 0.89 IKBKB (0.39) IKBKBMMP12MMP2MMP8MMP13
SCHEMBL2247710 0.88 ADAMTS5 (0.38) MMP12MMP2MMP8TSHRADAMTS5
SCHEMBL2247339 0.84 MMP12 (0.40) MMP12MMP2MMP8MMP13ADAMTS5
SCHEMBL2253119 0.84 MMP12 (0.40) MMP12MMP2MMP8MMP13ADAMTS5
SCHEMBL2242485 0.84 MMP2 (0.45) MMP12MMP2MMP8TSHRADAMTS5
SCHEMBL2245198 0.83 MMP12 (0.40) MMP12MMP2MMP8MMP13ADAMTS5
SCHEMBL2254209 0.83 IKBKB (0.41) IKBKBMMP12MMP2MMP8MMP13
SCHEMBL2246075 0.83 IKBKB (0.39) IKBKBMMP12MMP2MMP8ADAMTS5

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 IKBKB 1637/4885MMP12 54/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 IKBKB 1637/4885MMP12 54/4885MMP2 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.