SCHEMBL2245162

SCHEMBL2245162

CC(C)(Cc1ccccc1)N(C(=O)c1ccc(-c2ccc(O)cc2)cc1)[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.36
MMP2 P08253 3/20 0.35
HSD17B1 P14061 3/20 0.35
HSD17B2 P37059 3/20 0.35
MMP9 P14780 2/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
BLM P54132 1/20 0.34
HPGD P15428 1/20 0.34
KIF11 P52732 1/20 0.34
ESRRG P62508 1/20 0.34
ADAMTS5 Q9UNA0 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2245867 0.95 MMP2 (0.40) ERN1MMP2HSD17B1HSD17B2MMP9
SCHEMBL2244927 0.92 PPARG (0.37) ERN1MMP2MMP9MAPTALDH1A1
SCHEMBL2247913 0.91 MMP2 (0.39) MMP2LMNABLMESRRGADAMTS5
SCHEMBL2247320 0.91 MMP2 (0.35) ERN1MMP2MMP9MAPTALDH1A1
SCHEMBL2245193 0.91 MMP2 (0.43) MMP2MMP9MAPTALDH1A1LMNA
SCHEMBL2245812 0.90 HDAC1 (0.37) ERN1MMP2MMP9MAPTALDH1A1
SCHEMBL2247635 0.88 MCHR1 (0.36) ERN1MMP2MMP9MAPTALDH1A1
SCHEMBL4621840 0.87 KMT2A (0.37) ALDH1A1LMNAMEN1KMT2AKIF11
SCHEMBL4622703 0.87 MMP2 (0.35) ERN1MMP2MMP9MAPTALDH1A1
SCHEMBL2244641 0.86 MMP2 (0.38) MMP2HSD17B1HSD17B2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
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 ERN1 4568/4885MMP2 49/4885HSD17B1 2139/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ERN1 4568/4885MMP2 49/4885HSD17B1 2139/4885

“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.