SCHEMBL2245708

SCHEMBL2245708

O=C(O)CC[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.54
CCKBR P32239 1/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
ADAM17 P78536 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47

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
SCHEMBL2246518 0.89 L3MBTL1 (0.58) FOLH1CCKBRNPC1RAB9AMMP2
SCHEMBL24120019 0.87 CNR1 (0.51) CCKBRNPC1RAB9AMMP2MMP9
SCHEMBL3576470 0.86 MEN1 (0.53) FOLH1
SCHEMBL2245397 0.86 FOLH1 (0.59) FOLH1CCKBRMMP2
SCHEMBL2244001 0.85 CCKBR (0.54) FOLH1CCKBR
SCHEMBL20777225 0.82 L3MBTL1 (0.53)
SCHEMBL22822797 0.82 L3MBTL1 (0.53)
SCHEMBL2246984 0.82 L3MBTL1 (0.60) FOLH1CCKBRMMP2
SCHEMBL2244081 0.82 ADAMTS5 (0.54) FOLH1NPC1RAB9AMMP2MMP9
SCHEMBL2247862 0.81 CCKBR (0.51) FOLH1CCKBR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 FOLH1 17/4885CCKBR 2177/4885NPC1 3103/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FOLH1 17/4885CCKBR 2177/4885NPC1 3103/4885

“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.