SCHEMBL3577149

SCHEMBL3577149

NC(=O)CC[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ccc(-c2ccc(OCc3cccc(-c4ccccc4)c3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.48
AKR1B1 P15121 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
PTGES O14684 2/20 0.48
ALOX5 P09917 2/20 0.48
F2 P00734 1/20 0.46
NR4A2 P43354 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
LTC4S Q16873 1/20 0.44
BCL2 P10415 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL3595967 0.94 HSD17B2 (0.50) FFAR1AKR1B1FFAR4PTGESALOX5
SCHEMBL3588588 0.93 ALOX5 (0.52) FFAR1PTGESALOX5NR4A2LTC4S
SCHEMBL3584344 0.92 MAOB (0.53) PTGESALOX5NR4A2PARP10
SCHEMBL3589183 0.92 PARP15 (0.53) FFAR1FFAR4PTGESALOX5LTC4S
SCHEMBL3591193 0.87 ADAMTS4 (0.41) PTGES
SCHEMBL3588841 0.87 FFAR1 (0.47) FFAR1FFAR4PTGESALOX5PTGER4
SCHEMBL3584964 0.84 F7 (0.44) PTGESALOX5F2
SCHEMBL3589161 0.84 HSD17B2 (0.45) FFAR1FFAR4PTGESALOX5PTGER4
SCHEMBL4649130 0.81 MMP2 (0.40) PTGESALOX5
SCHEMBL2247651 0.79 MRGPRX4 (0.56) FFAR1AKR1B1FFAR4F2NR4A2

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 3780/4885AKR1B1 3393/4885FFAR4 4129/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FFAR1 3780/4885AKR1B1 3393/4885FFAR4 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.