SCHEMBL2247756

SCHEMBL2247756

COc1cc(CN(C(=O)c2ccc(Br)cc2)[C@@H](CCC(=O)O)C(N)=O)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
MMP2 P08253 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KRAS P01116 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TNF P01375 1/20 0.39
PRNP P04156 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
ABCB1 P08183 1/20 0.38
ADAMTS4 O75173 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37

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
SCHEMBL2251692 0.89 ADAMTS4 (0.47) TP53MMP2POLBLMNAMAPT
SCHEMBL2244958 0.89 ADAMTS4 (0.40) TP53POLBMAPTTHRBADAMTS4
SCHEMBL2247998 0.88 ADAMTS4 (0.41) TP53POLBMAPTTHRBADAMTS4
SCHEMBL2251182 0.88 POLB (0.46) TP53POLBMAPTTHRBMEN1
SCHEMBL2247652 0.88 ADAMTS4 (0.41) TP53POLBMAPTTHRBMEN1
SCHEMBL2254244 0.87 ADAMTS4 (0.41) TP53POLBMAPTTHRBMEN1
SCHEMBL5650382 0.87 MEN1 (0.46) TP53POLBMAPTTHRBMEN1
SCHEMBL2244323 0.87 ADAMTS4 (0.41) TP53POLBMAPTTHRBMEN1
SCHEMBL2248511 0.87 ADAMTS4 (0.40) TP53POLBMAPTTHRBMEN1
SCHEMBL2253100 0.86 ADAMTS4 (0.39) TP53MMP2POLBMAPTTHRB

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 TP53 4136/4885MMP2 49/4885CA1 65/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 TP53 4136/4885MMP2 49/4885CA1 65/4885

“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.