SCHEMBL3595967

SCHEMBL3595967

COc1cccc(-c2cccc(COc3ccc(-c4ccc(C(=O)N(Cc5ccccc5)[C@@H](CCC(N)=O)C(=O)O)cc4)cc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.50
SLC2A1 P11166 1/20 0.45
SLC2A4 P14672 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGES O14684 3/20 0.44
ALOX5 P09917 3/20 0.44
FFAR1 O14842 7/20 0.43
GNA15 P30679 1/20 0.43
AKR1B1 P15121 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PPARD Q03181 1/20 0.43
SLC1A5 Q15758 1/20 0.43
PTGER4 P35408 1/20 0.42
NR4A2 P43354 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
LTC4S Q16873 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 0.94 FFAR1 (0.48) PTGESALOX5FFAR1AKR1B1FFAR4
SCHEMBL3589161 0.90 HSD17B2 (0.45) HSD17B2SLC2A1SLC2A4TDP1PTGES
SCHEMBL3588588 0.88 ALOX5 (0.52) PTGESALOX5FFAR1NR4A2LTC4S
SCHEMBL3589183 0.86 PARP15 (0.53) PTGESALOX5FFAR1FFAR4MRGPRX4
SCHEMBL3584344 0.86 MAOB (0.53) PTGESALOX5NR4A2
SCHEMBL3591193 0.82 ADAMTS4 (0.41) HSD17B2PTGES
SCHEMBL3578758 0.82 PTGES (0.51) HSD17B2TDP1PTGESALOX5FFAR1
SCHEMBL3588841 0.82 FFAR1 (0.47) PTGESALOX5FFAR1FFAR4PTGER4
SCHEMBL2247496 0.81 HSD17B2 (0.40) HSD17B2SLC2A1SLC2A4TDP1PTGES
SCHEMBL2250531 0.81 HSD17B2 (0.43) HSD17B2SLC2A1SLC2A4TDP1PTGES

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 HSD17B2 2502/4885SLC2A1 880/4885SLC2A4 1253/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSD17B2 2502/4885SLC2A1 880/4885SLC2A4 1253/4885

“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.