SCHEMBL2247134

SCHEMBL2247134

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
PTPN1 P18031 5/20 0.41
CASP3 P42574 4/20 0.38
FABP5 Q01469 3/20 0.38
FABP7 O15540 2/20 0.38
EPHX2 P34913 1/20 0.34

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
SCHEMBL2247201 0.82 KMT2A (0.43) KMT2APTPN1CASP3FABP5FABP7
SCHEMBL2252011 0.82 KMT2A (0.41) KMT2APTPN1CASP3FABP5FABP7
SCHEMBL2248528 0.80 KMT2A (0.42) KMT2APTPN1CASP3FABP5FABP7
SCHEMBL2250139 0.80 KMT2A (0.43) KMT2APTPN1CASP3FABP5FABP7
SCHEMBL2246665 0.79 KMT2A (0.41) KMT2APTPN1CASP3FABP5FABP7
SCHEMBL2249667 0.78 KMT2A (0.42) KMT2APTPN1CASP3FABP5FABP7
SCHEMBL2244782 0.78 KMT2A (0.42) KMT2APTPN1CASP3FABP5FABP7
SCHEMBL2251705 0.78 KMT2A (0.42) KMT2APTPN1CASP3FABP5FABP7
SCHEMBL2254025 0.78 KMT2A (0.40) KMT2APTPN1CASP3FABP5FABP7
SCHEMBL15266302 0.78 KMT2A (0.47) KMT2APTPN1CASP3FABP5FABP7

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