SCHEMBL2248296

SCHEMBL2248296

CC(C)Cc1ccc(-c2ccc(C(=O)N([C@@H](CCC(N)=O)C(=O)O)C(C)(C)Cc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
TPH1 P17752 2/20 0.37
MCHR1 Q99705 1/20 0.36
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
ALOX5 P09917 2/20 0.34
MME P08473 3/20 0.33
ACE P12821 1/20 0.33
LMNA P02545 3/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 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
SCHEMBL2247913 0.90 MMP2 (0.39) MMP2MMP8MMP12ADAMTS5TPH1
SCHEMBL2245193 0.90 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5MCHR1
SCHEMBL2247162 0.87 MMP2 (0.37) MMP2MMP8MMP12ADAMTS5TPH1
SCHEMBL2244705 0.86 RXRA (0.42) MMP2MMP8MMP12ADAMTS5MCHR1
SCHEMBL2245312 0.85 HSD17B1 (0.43) MMP2MMP8MMP12ADAMTS5MCHR1
SCHEMBL2248091 0.85 HSD17B2 (0.41) MMP2MMP8MMP12ADAMTS5MCHR1
SCHEMBL2249890 0.84 MMP12 (0.48) MMP2MMP8MMP12ADAMTS5TPH1
SCHEMBL2245867 0.84 MMP2 (0.40) MMP2MMP8MMP12ADAMTS5ALOX5
SCHEMBL2249291 0.84 MMP2 (0.35) MMP2MMP8MMP12ADAMTS5TPH1
SCHEMBL2251479 0.84 DRD2 (0.39) MMP2MMP8MMP12ADAMTS5PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 MMP2 49/4885MMP8 70/4885MMP12 54/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885MMP8 70/4885MMP12 54/4885

“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.