SCHEMBL2249299

SCHEMBL2249299

CC(C)(Cc1ccc(Cl)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2cccnc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.51
MMP2 P08253 1/20 0.51
MMP8 P22894 1/20 0.51
MMP12 P39900 1/20 0.51
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41

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
SCHEMBL2243884 0.93 ADAMTS5 (0.54) ADAMTS5MMP2MMP8MMP12HDAC3
SCHEMBL2247930 0.92 ADAMTS5 (0.62) ADAMTS5MMP2MMP8MMP12HDAC3
SCHEMBL2247376 0.91 ADAMTS5 (0.50) ADAMTS5MMP2MMP8MMP12HDAC3
SCHEMBL2249785 0.91 ADAMTS5 (0.58) ADAMTS5MMP2MMP8MMP12HDAC1
SCHEMBL2243910 0.90 ADAMTS5 (0.56) ADAMTS5MMP2MMP8MMP12CYP3A4
SCHEMBL2247372 0.86 ADAMTS5 (0.64) ADAMTS5MMP2MMP8MMP12CYP3A4
SCHEMBL2247400 0.85 ADAMTS5 (0.55) ADAMTS5MMP2MMP8MMP12HDAC3
SCHEMBL2247110 0.85 MMP2 (0.49) ADAMTS5MMP2MMP8MMP12HDAC6
SCHEMBL2247435 0.85 ADAMTS5 (0.60) ADAMTS5MMP2MMP8MMP12HDAC1
SCHEMBL2247404 0.82 ADAMTS5 (0.71) ADAMTS5MMP2MMP8MMP12ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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.