SCHEMBL3584964

SCHEMBL3584964

NC(=O)CC[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.44
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
ERN1 O75460 1/20 0.42
ACHE P22303 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
UTS2R Q9UKP6 2/20 0.38
TRPM8 Q7Z2W7 2/20 0.37
HSD17B2 P37059 1/20 0.36

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
SCHEMBL3591193 0.86 ADAMTS4 (0.41) PTGESTRPM8HSD17B2
SCHEMBL3588588 0.84 ALOX5 (0.52) PTGESALOX5
SCHEMBL3577149 0.84 FFAR1 (0.48) PTGESALOX5F2
SCHEMBL4649130 0.84 MMP2 (0.40) F7PTGESALOX5
SCHEMBL4371351 0.82 KMT2A (0.40) TRPM8
SCHEMBL3585006 0.80 ACACB (0.44) PTGESTRPM8
SCHEMBL3584344 0.80 MAOB (0.53) PTGESALOX5
SCHEMBL3589183 0.80 PARP15 (0.53) PTGESALOX5
SCHEMBL3595967 0.79 HSD17B2 (0.50) PTGESALOX5HSD17B2
SCHEMBL3588841 0.79 FFAR1 (0.47) PTGESALOX5

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
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-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 F7 4497/4885PTGES 1681/4885ALOX5 1774/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 F7 4497/4885PTGES 1681/4885ALOX5 1774/4885

“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.