SCHEMBL2248530

SCHEMBL2248530

COc1ccc(-c2ccc(C(=O)N([C@@H](CCC(=O)O)C(N)=O)C(C)(C)Cc3ccccc3)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.45
PDE4B Q07343 7/20 0.45
PDE4C Q08493 7/20 0.45
PDE4D Q08499 7/20 0.45
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MCHR1 Q99705 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CYP3A4 P08684 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
SCHEMBL2249506 0.87 F10 (0.40) SMN1; SMN2CYP3A4LPAR1MAPTHPGD
SCHEMBL2247535 0.86 MMP12 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2249342 0.85 MMP12 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2251275 0.85 MMP12 (0.40) SMN1; SMN2CYP3A4MAPTHPGD
SCHEMBL2247955 0.84 LTA4H (0.39) SMN1; SMN2
SCHEMBL2248047 0.83 GABRA1 (0.45) SMN1; SMN2HPGD
SCHEMBL2245097 0.82 KMT2A (0.37) SMN1; SMN2CYP3A4
SCHEMBL2249780 0.82 MMP12 (0.36) MAPTHPGD
SCHEMBL2246681 0.81 TSHR (0.36) ACHEMAPTHPGD
SCHEMBL2249890 0.81 MMP12 (0.48) MCHR1

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 6 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-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
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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 PDE4A 2767/4885PDE4B 3361/4885PDE4C 3039/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PDE4A 2767/4885PDE4B 3361/4885PDE4C 3039/4885

“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.