SCHEMBL2247709

SCHEMBL2247709

NC(=O)[C@H](CCC(=O)O)N(Cc1ccc(Cl)cc1Cl)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.39
KMT2A Q03164 2/20 0.38
FABP7 O15540 2/20 0.38
FABP5 Q01469 2/20 0.38
EPHX1 P07099 1/20 0.37
ACLY P53396 2/20 0.34
TP53 P04637 1/20 0.34
P2RX7 Q99572 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33
EPHX2 P34913 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
SCHEMBL2247270 0.85 PTPN1 (0.40) PTPN1KMT2AFABP7FABP5EPHX2
SCHEMBL2252468 0.83 PTPN1 (0.38) PTPN1KMT2AFABP7FABP5EPHX2
SCHEMBL2248824 0.82 KMT2A (0.39) PTPN1KMT2AFABP7FABP5
SCHEMBL2248394 0.82 FABP5 (0.41) PTPN1KMT2AFABP7FABP5TP53
SCHEMBL2251219 0.82 ALDH1A1 (0.40) PTPN1KMT2AFABP5
SCHEMBL2247795 0.81 KMT2A (0.39) PTPN1KMT2AFABP7FABP5ACLY
SCHEMBL2249466 0.81 PTPN1 (0.41) PTPN1KMT2AFABP7FABP5TP53
SCHEMBL2251948 0.81 PTPN1 (0.41) PTPN1KMT2AFABP7FABP5TP53
SCHEMBL2247564 0.80 PTPN1 (0.42) PTPN1KMT2AFABP7FABP5EPHX2
SCHEMBL2248194 0.79 PTPN1 (0.43) PTPN1KMT2AFABP5TP53

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-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 PTPN1 4403/4885KMT2A 2364/4885FABP7 182/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PTPN1 4403/4885KMT2A 2364/4885FABP7 182/4885

“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.