SCHEMBL2247349

SCHEMBL2247349

Cc1cccc(CN(C(=O)c2ccc(-c3cccc(CBr)c3)cc2)[C@@H](CCC(=O)O)C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 5/20 0.45
HSD17B1 P14061 3/20 0.45
AOC3 Q16853 6/20 0.40
TRPM8 Q7Z2W7 2/20 0.39
MMP12 P39900 1/20 0.38
MME P08473 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
PTGES O14684 1/20 0.37
FFAR1 O14842 1/20 0.37
EGFR P00533 1/20 0.37
CSF1R P07333 1/20 0.37

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
SCHEMBL2244759 0.93 HSD17B2 (0.45) HSD17B2HSD17B1AOC3TRPM8MMP12
SCHEMBL2247819 0.89 HSD17B2 (0.42) HSD17B2HSD17B1TRPM8MMP12MME
SCHEMBL2244869 0.87 KMT2A (0.41) HSD17B2HSD17B1TRPM8
SCHEMBL2249301 0.85 HSD17B2 (0.48) HSD17B2HSD17B1PTGESFFAR1
SCHEMBL2242479 0.85 HSD17B2 (0.45) HSD17B2HSD17B1TRPM8PTGESFFAR1
SCHEMBL2249550 0.85 ALDH1A1 (0.44) HSD17B2HSD17B1TRPM8
SCHEMBL2251011 0.83 FFAR1 (0.43) HSD17B2HSD17B1TRPM8FFAR1
SCHEMBL2246723 0.82 MMP12 (0.44) HSD17B2HSD17B1AOC3TRPM8MMP12
SCHEMBL4370875 0.82 MMP12 (0.41) HSD17B2HSD17B1AOC3TRPM8MMP12
SCHEMBL4361259 0.82 TRPM8 (0.53) AOC3TRPM8MMP12FFAR1

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 2139/4885AOC3 1803/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSD17B2 2502/4885HSD17B1 2139/4885AOC3 1803/4885

“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.