SCHEMBL2247564

SCHEMBL2247564

Cc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CCC(=O)O)C(N)=O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.42
KMT2A Q03164 2/20 0.39
CASP3 P42574 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FABP5 Q01469 3/20 0.34
FABP7 O15540 2/20 0.34
EPHX2 P34913 1/20 0.33
GRB2 P62993 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
SCHEMBL2248194 0.90 PTPN1 (0.43) PTPN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL2247270 0.88 PTPN1 (0.40) PTPN1KMT2ACASP3FABP5FABP7
SCHEMBL2249466 0.88 PTPN1 (0.41) PTPN1KMT2ACASP3FABP5FABP7
SCHEMBL2245317 0.87 PTPN1 (0.40) PTPN1KMT2ACASP3ALDH1A1LMNA
SCHEMBL2246888 0.86 PTPN1 (0.40) PTPN1KMT2ACASP3ALDH1A1LMNA
SCHEMBL2243995 0.86 PTPN1 (0.40) PTPN1KMT2ACASP3FABP5FABP7
SCHEMBL2251948 0.86 PTPN1 (0.41) PTPN1KMT2ACASP3FABP5FABP7
SCHEMBL2246132 0.85 BMP1 (0.43) PTPN1KMT2A
SCHEMBL2252468 0.84 PTPN1 (0.38) PTPN1KMT2ACASP3FABP5FABP7
SCHEMBL2248528 0.82 KMT2A (0.42) PTPN1KMT2ACASP3FABP5FABP7

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 PTPN1 4403/4885KMT2A 2364/4885CASP3 2787/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PTPN1 4403/4885KMT2A 2364/4885CASP3 2787/4885

“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.