SCHEMBL3588588

SCHEMBL3588588

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.52
PTGES O14684 2/20 0.52
PARP10 Q53GL7 1/20 0.49
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
EPOR P19235 2/20 0.45
MAOB P27338 1/20 0.43
MMP12 P39900 1/20 0.43
EGFR P00533 2/20 0.43
LTC4S Q16873 1/20 0.43
FFAR1 O14842 1/20 0.43
SRD5A2 P31213 1/20 0.43
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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 0.93 FFAR1 (0.48) ALOX5PTGESPARP10NR4A2LTC4S
SCHEMBL3589183 0.91 PARP15 (0.53) ALOX5PTGESPARP10MAOBLTC4S
SCHEMBL3584344 0.91 MAOB (0.53) ALOX5PTGESPARP10NR4A2MAOB
SCHEMBL3588841 0.90 FFAR1 (0.47) ALOX5PTGESFFAR1
SCHEMBL3595967 0.88 HSD17B2 (0.50) ALOX5PTGESNR4A2LTC4SFFAR1
SCHEMBL3584964 0.84 F7 (0.44) ALOX5PTGES
SCHEMBL3589161 0.83 HSD17B2 (0.45) ALOX5PTGESFFAR1
SCHEMBL4649130 0.83 MMP2 (0.40) ALOX5PTGES
SCHEMBL3585006 0.81 ACACB (0.44) PTGESMMP12FFAR1
SCHEMBL3591193 0.81 ADAMTS4 (0.41) PTGESADAMTS4

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 5 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
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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 ALOX5 1774/4885PTGES 1681/4885PARP10 1677/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ALOX5 1774/4885PTGES 1681/4885PARP10 1677/4885

“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.