SCHEMBL3589161

SCHEMBL3589161

COc1cccc(-c2ccccc2COc2ccc(-c3ccc(C(=O)N(Cc4ccccc4)[C@@H](CCC(N)=O)C(=O)O)cc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.45
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 3/20 0.44
PTGER4 P35408 3/20 0.43
PTGER3 P43115 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGER1 P34995 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
CD274 Q9NZQ7 3/20 0.41
SLC1A5 Q15758 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LPAR1 Q92633 1/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A4 P14672 1/20 0.39
TSHR P16473 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
SCHEMBL3588841 0.91 FFAR1 (0.47) FFAR1FFAR4PTGER4PTGER3PTGER1
SCHEMBL3595967 0.90 HSD17B2 (0.50) HSD17B2FFAR1FFAR4PTGER4TDP1
SCHEMBL3577149 0.84 FFAR1 (0.48) FFAR1FFAR4PTGER4PTGER3PTGES
SCHEMBL3588588 0.83 ALOX5 (0.52) FFAR1PTGESALOX5
SCHEMBL2250684 0.80 POLB (0.46) FFAR1FFAR4PTGER4PTGER3PTGER1
SCHEMBL3589183 0.80 PARP15 (0.53) FFAR1FFAR4PTGESALOX5
SCHEMBL3584344 0.80 MAOB (0.53) PTGESALOX5
SCHEMBL3578758 0.79 PTGES (0.51) HSD17B2FFAR1TDP1PTGESALOX5
SCHEMBL4622485 0.77 HSD17B2 (0.45) HSD17B2PTGESALOX5SLC1A5SLC2A1
SCHEMBL3591193 0.76 ADAMTS4 (0.41) HSD17B2PTGES

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 HSD17B2 2502/4885FFAR1 3780/4885FFAR4 4129/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSD17B2 2502/4885FFAR1 3780/4885FFAR4 4129/4885

“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.