SCHEMBL2244329

SCHEMBL2244329

COc1cc(CN[C@@H](CCC(N)=O)C(=O)OC(=O)c2ccc(-c3ccc(CO)cc3)cc2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.37
ADAMTS4 O75173 2/20 0.37
ADAMTS5 Q9UNA0 2/20 0.37
PDK1 Q15118 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE7B Q9NP56 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMPD1 P17405 1/20 0.36
HDAC1 Q13547 1/20 0.35
POLB P06746 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL2254247 0.94 SMN1; SMN2 (0.40) SMN1; SMN2MAPTGAAADAMTS4ADAMTS5
SCHEMBL2251695 0.93 SMN1; SMN2 (0.45) SMN1; SMN2MAPTADAMTS4ADAMTS5PDE4B
SCHEMBL2244962 0.92 SMN1; SMN2 (0.39) SMN1; SMN2MAPTGAAADAMTS4ADAMTS5
SCHEMBL2248001 0.92 KDM4E (0.40) SMN1; SMN2MAPTGAAADAMTS4ADAMTS5
SCHEMBL2251183 0.92 MAPT (0.44) SMN1; SMN2MAPTGAAADAMTS4ADAMTS5
SCHEMBL2247654 0.92 SMN1; SMN2 (0.42) SMN1; SMN2MAPTGAAADAMTS4ADAMTS5
SCHEMBL2248512 0.90 GCGR (0.39) SMN1; SMN2MAPTGAAADAMTS4ADAMTS5
SCHEMBL2252347 0.88 TUBB4A (0.41) SMN1; SMN2MAPTADAMTS4ADAMTS5MEN1
SCHEMBL2244814 0.88 HPGDS (0.39) SMN1; SMN2MAPTGAAADAMTS4ADAMTS5
SCHEMBL2247761 0.88 MAPT (0.41) SMN1; SMN2MAPTGAAPDK1MEN1

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 SMN1; SMN2 2624/4885MAPT 1544/4885GAA 257/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 SMN1; SMN2 2624/4885MAPT 1544/4885GAA 257/4885

“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.