SCHEMBL3588841

SCHEMBL3588841

NC(=O)CC[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ccc(-c2ccc(OCc3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.47
FFAR4 Q5NUL3 13/20 0.47
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
CD274 Q9NZQ7 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER2 P43116 1/20 0.39

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
SCHEMBL3589161 0.91 HSD17B2 (0.45) FFAR1FFAR4PTGESALOX5PTGER4
SCHEMBL3588588 0.90 ALOX5 (0.52) FFAR1PTGESALOX5
SCHEMBL3577149 0.87 FFAR1 (0.48) FFAR1FFAR4PTGESALOX5PTGER4
SCHEMBL3584344 0.83 MAOB (0.53) PTGESALOX5
SCHEMBL3589183 0.83 PARP15 (0.53) FFAR1FFAR4PTGESALOX5
SCHEMBL3595967 0.82 HSD17B2 (0.50) FFAR1FFAR4PTGESALOX5PTGER4
SCHEMBL3591193 0.80 ADAMTS4 (0.41) PTGES
SCHEMBL4649130 0.79 MMP2 (0.40) PTGESALOX5
SCHEMBL3584964 0.79 F7 (0.44) PTGESALOX5
SCHEMBL2251027 0.77 CA2 (0.51) FFAR1FFAR4

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 FFAR1 3780/4885FFAR4 4129/4885PTGES 1681/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FFAR1 3780/4885FFAR4 4129/4885PTGES 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.