SCHEMBL2247552

SCHEMBL2247552

NC(=O)CC[C@H](NCc1ccccc1)C(=O)OC(=O)c1ccc(C#Cc2cccc(N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.44
MEP1B Q16820 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
IKBKB O14920 1/20 0.35
PTPRC P08575 1/20 0.35
PTPRG P23470 1/20 0.35
ACACB O00763 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGES O14684 2/20 0.33

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
SCHEMBL4370877 0.80 AOC3 (0.39) FFAR1MEP1BMMP2MMP9
SCHEMBL5655905 0.77 KDM4E (0.42) MEP1BMMP2MMP9MMP12
SCHEMBL4369490 0.75 KDM4E (0.44) MMP2MMP9NPC1RAB9A
SCHEMBL5653527 0.75 SMN1; SMN2 (0.47) FFAR1MMP2MMP9MMP12NPC1
SCHEMBL4361261 0.74 MGLL (0.46) FFAR1ADRB1
SCHEMBL2251695 0.74 SMN1; SMN2 (0.45)
SCHEMBL4362592 0.73 HPGDS (0.47) FFAR1MMP2MMP9MMP12
SCHEMBL5651085 0.73 RAB9A (0.43) MMP2MMP9NPC1RAB9APTGES
SCHEMBL4359340 0.73 KDM4E (0.42) MMP2MMP9NPC1RAB9A
SCHEMBL2244873 0.73 NPC1 (0.41) MEP1BADRB2ADRB1ADRB3NPC1

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-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
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 3780/4885MEP1B 2803/4885ADRB2 4829/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FFAR1 3780/4885MEP1B 2803/4885ADRB2 4829/4885

“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.