SCHEMBL2248394

SCHEMBL2248394

NC(=O)[C@H](CCC(=O)O)N(CCc1ccccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
KMT2A Q03164 2/20 0.39
PTPN1 P18031 3/20 0.37
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
CASP3 P42574 2/20 0.33
AOC3 Q16853 1/20 0.32
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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 0.87 KMT2A (0.39) FABP5FABP7KMT2APTPN1CASP3
SCHEMBL2247795 0.85 KMT2A (0.39) FABP5FABP7KMT2APTPN1AOC3
SCHEMBL4623928 0.84 KMT2A (0.43) FABP5FABP7KMT2APTPN1CASP3
SCHEMBL2251705 0.84 KMT2A (0.42) FABP5FABP7KMT2APTPN1CASP3
SCHEMBL2245573 0.83 KMT2A (0.39) FABP5FABP7KMT2APTPN1CASP3
SCHEMBL2246665 0.82 KMT2A (0.41) FABP5FABP7KMT2APTPN1CASP3
SCHEMBL2247709 0.82 PTPN1 (0.39) FABP5FABP7KMT2APTPN1TP53
SCHEMBL2252327 0.81 PTPN1 (0.37) FABP5FABP7KMT2APTPN1EPHX2
SCHEMBL2251584 0.81 PTPN1 (0.42) FABP5KMT2APTPN1L3MBTL1
SCHEMBL2247270 0.81 PTPN1 (0.40) FABP5FABP7KMT2APTPN1CASP3

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 FABP5 574/4885FABP7 182/4885KMT2A 2364/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FABP5 574/4885FABP7 182/4885KMT2A 2364/4885

“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.