SCHEMBL2247795

SCHEMBL2247795

NC(=O)[C@H](CCC(=O)O)N(CCc1cccc(Cl)c1)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
PTPN1 P18031 5/20 0.37
ALDH1A1 P00352 1/20 0.36
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
EPHX2 P34913 1/20 0.34
PLA2G1B P04054 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
ACLY P53396 2/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL2248824 0.90 KMT2A (0.39) KMT2APTPN1FABP7FABP5FFAR1
SCHEMBL2252327 0.90 PTPN1 (0.37) KMT2APTPN1FABP7FABP5FFAR1
SCHEMBL2251584 0.86 PTPN1 (0.42) KMT2APTPN1ALDH1A1FABP5L3MBTL1
SCHEMBL4623928 0.85 KMT2A (0.43) KMT2APTPN1FABP7FABP5SMN1; SMN2
SCHEMBL2248394 0.85 FABP5 (0.41) KMT2APTPN1FABP7FABP5EPHX2
SCHEMBL2245573 0.85 KMT2A (0.39) KMT2APTPN1FABP7FABP5FFAR1
SCHEMBL2928612 0.83 KDM4E (0.39) KMT2AIDO1EPHX2
SCHEMBL2247709 0.81 PTPN1 (0.39) KMT2APTPN1FABP7FABP5EPHX2
SCHEMBL2251705 0.81 KMT2A (0.42) KMT2APTPN1FABP7FABP5EPHX2
SCHEMBL2247270 0.80 PTPN1 (0.40) KMT2APTPN1FABP7FABP5EPHX2

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 4 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
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 KMT2A 2364/4885PTPN1 4403/4885ALDH1A1 991/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885PTPN1 4403/4885ALDH1A1 991/4885

“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.