SCHEMBL2248091

SCHEMBL2248091

Cc1cccc(-c2ccc(C(=O)N([C@@H](CCC(N)=O)C(=O)O)C(C)(C)Cc3ccc(F)cc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.41
HSD17B1 P14061 2/20 0.41
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
MME P08473 1/20 0.35
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ICMT O60725 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
SCHEMBL2245312 0.91 HSD17B1 (0.43) HSD17B2HSD17B1MMP2MMP8MMP12
SCHEMBL2244705 0.90 RXRA (0.42) MMP2MMP8MMP12ADAMTS5PPARG
SCHEMBL2245193 0.89 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5TRPM8
SCHEMBL2247786 0.89 HSD17B2 (0.46) HSD17B2MMP2MMP8MMP12ADAMTS5
SCHEMBL2244641 0.88 MMP2 (0.38) HSD17B2HSD17B1MMP2MMP8MMP12
SCHEMBL2247913 0.87 MMP2 (0.39) MMP2MMP8MMP12ADAMTS5TRPM8
SCHEMBL2248296 0.85 MMP2 (0.40) MMP2MMP8MMP12ADAMTS5PPARG
SCHEMBL2245867 0.85 MMP2 (0.40) HSD17B2HSD17B1MMP2MMP8MMP12
SCHEMBL2249291 0.84 MMP2 (0.35) HSD17B2HSD17B1MMP2MMP8MMP12
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 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 HSD17B2 2502/4885HSD17B1 2139/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSD17B2 2502/4885HSD17B1 2139/4885MMP2 49/4885

“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.