SCHEMBL2247497

SCHEMBL2247497

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
ADAM17 P78536 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ICMT O60725 1/20 0.41
MMP12 P39900 2/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
PARP10 Q53GL7 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
P2RY12 Q9H244 1/20 0.39
HDAC3 O15379 1/20 0.38

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
SCHEMBL2249554 0.82 CA2 (0.63) CA2CA1MMP2MMP9ADAM17
SCHEMBL2246525 0.81 NPC1 (0.43) CA2CA1SMN1; SMN2
SCHEMBL7047276 0.75 CTSL (0.49) CA2CA1SMN1; SMN2BCHEACHE
SCHEMBL2249549 0.75 MMP12 (0.60) CA2CA1MMP2MMP9ADAM17
SCHEMBL4623715 0.74 GPR132 (0.53) SMN1; SMN2ERCC5FEN1
SCHEMBL7046034 0.73 CA2 (0.53) CA2CA1
SCHEMBL5999343 0.73 MMP2 (0.52) MMP2MMP9ADAM17SMN1; SMN2MMP12
SCHEMBL7046023 0.73 ACE (0.60) CA2CA1SMN1; SMN2
SCHEMBL2247834 0.72 CYP26A1 (0.47) CA2CA1MMP2MMP9SMN1; SMN2
SCHEMBL2247559 0.72 ALDH1A1 (0.58) CA2CA1SMN1; SMN2ERCC5FEN1

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 CA2 134/4885CA1 65/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CA2 134/4885CA1 65/4885MMP2 49/4885

“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.