SCHEMBL2248455

SCHEMBL2248455

CC(C)(N[C@@H](CCC(N)=O)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
ADAMTS4 O75173 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
CA2 P00918 5/20 0.42
CA1 P00915 4/20 0.42
MAPT P10636 1/20 0.41
KIF11 P52732 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2021994 0.85 KMT2A (0.52) KMT2AMMP2MMP9L3MBTL1CA2
SCHEMBL27717200 0.85 KMT2A (0.52) KMT2AMMP2MMP9L3MBTL1CA2
SCHEMBL5495801 0.85 KMT2A (0.52) KMT2AMMP2MMP9L3MBTL1CA2
SCHEMBL2248452 0.82 ADAMTS4 (0.52) KMT2AMMP2MMP9ADAMTS4ADAMTS5
SCHEMBL2247130 0.80 KMT2A (0.48) KMT2AMMP2MMP9L3MBTL1ADAMTS5
SCHEMBL29033836 0.79 KMT2A (0.53) KMT2AMMP2MMP9L3MBTL1ADAMTS4
SCHEMBL27138798 0.78 CYP2C19 (0.44) KMT2AMMP2ADAMTS4ADAMTS5MAPT
SCHEMBL10889787 0.78 NPSR1 (0.42) MAPTKIF11NPSR1
SCHEMBL20299077 0.77 KMT2A (0.45) KMT2AMMP2MMP9L3MBTL1CA2
SCHEMBL2247878 0.77 KMT2A (0.45) KMT2AMMP2MMP9L3MBTL1CA2

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 2364/4885MMP2 49/4885MMP9 27/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885MMP2 49/4885MMP9 27/4885

“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.