SCHEMBL3591193

SCHEMBL3591193

NC(=O)CC[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ccc(-c2cccc(CO)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.41
HSD17B2 P37059 2/20 0.40
PTGES O14684 1/20 0.40
HSD17B1 P14061 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40
RORC P51449 1/20 0.39
AOC3 Q16853 6/20 0.39
ACMSD Q8TDX5 1/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
PRKCI P41743 1/20 0.38

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
SCHEMBL3577149 0.87 FFAR1 (0.48) PTGES
SCHEMBL3584964 0.86 F7 (0.44) HSD17B2PTGESTRPM8
SCHEMBL4649130 0.85 MMP2 (0.40) PTGESRORCMMP2MMP9
SCHEMBL3595967 0.82 HSD17B2 (0.50) HSD17B2PTGES
SCHEMBL3588588 0.81 ALOX5 (0.52) ADAMTS4PTGES
SCHEMBL4371351 0.81 KMT2A (0.40) TRPM8
SCHEMBL3588841 0.80 FFAR1 (0.47) PTGES
SCHEMBL2244759 0.79 HSD17B2 (0.45) ADAMTS4HSD17B2HSD17B1TRPM8SDCBP
SCHEMBL4621965 0.79 TRIM24 (0.37) HSD17B2HSD17B1AOC3MMP2MMP9
SCHEMBL3585006 0.79 ACACB (0.44) PTGESTRPM8MMP2MMP9

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 7 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-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 ADAMTS4 5/4885HSD17B2 2502/4885PTGES 1681/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS4 5/4885HSD17B2 2502/4885PTGES 1681/4885

“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.