SCHEMBL2245097

SCHEMBL2245097

CC(C)(Cc1ccccc1)N(C(=O)c1ccc(Br)cc1)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
HSP90AA1 P07900 1/20 0.37
MEN1 O00255 4/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
EPHX1 P07099 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
CPA3 P15088 1/20 0.33
FOLH1 Q04609 2/20 0.33
PTPN1 P18031 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL2251633 0.91 MMP2 (0.41) MMP2MMP8MMP12ADAMTS5EPHX1
SCHEMBL2251275 0.88 MMP12 (0.40) KMT2AMEN1SMN1; SMN2MMP2MMP8
SCHEMBL4621840 0.87 KMT2A (0.37) KMT2AHSP90AA1MEN1MAPK1SMN1; SMN2
SCHEMBL2248436 0.85 MMP12 (0.37) MMP2MMP8MMP12ADAMTS5CYP3A4
SCHEMBL2247535 0.85 MMP12 (0.40) MMP2MMP8MMP12ADAMTS5PTPN1
SCHEMBL2249342 0.84 MMP12 (0.43) MMP2MMP8MMP12ADAMTS5PTPN1
SCHEMBL2249780 0.83 MMP12 (0.36) MMP2MMP8MMP12ADAMTS5ALDH1A1
SCHEMBL2248530 0.82 PDE4A (0.45) SMN1; SMN2CYP3A4
SCHEMBL2247710 0.82 ADAMTS5 (0.38) MMP2MMP8MMP12ADAMTS5LMNA
SCHEMBL2249890 0.82 MMP12 (0.48) MMP2MMP8MMP12ADAMTS5FOLH1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 2364/4885HSP90AA1 2002/4885MEN1 2734/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885HSP90AA1 2002/4885MEN1 2734/4885

“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.