SCHEMBL2247654

SCHEMBL2247654

COc1ccc(-c2ccc(C(=O)OC(=O)[C@H](CCC(N)=O)NCc3cc(OC)c(OC)c(OC)c3)cc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.39
PDK1 Q15118 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 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
SCHEMBL2251695 0.93 SMN1; SMN2 (0.45) SMN1; SMN2MAPTKMT2AMEN1PDE4B
SCHEMBL2251183 0.93 MAPT (0.44) SMN1; SMN2MAPTPDK1TUBB4ATUBB
SCHEMBL2254247 0.93 SMN1; SMN2 (0.40) SMN1; SMN2MAPTPDK1KMT2AMEN1
SCHEMBL2248001 0.93 KDM4E (0.40) SMN1; SMN2MAPTPDK1KMT2AGAA
SCHEMBL2244329 0.92 SMN1; SMN2 (0.39) SMN1; SMN2MAPTPDK1KMT2AMEN1
SCHEMBL2252347 0.91 TUBB4A (0.41) SMN1; SMN2MAPTTUBB4ATUBBTUBA3C
SCHEMBL2244814 0.91 HPGDS (0.39) SMN1; SMN2MAPTGAAPDE4BPDE4D
SCHEMBL2248512 0.91 GCGR (0.39) SMN1; SMN2MAPTPDK1KMT2AMEN1
SCHEMBL2244962 0.91 SMN1; SMN2 (0.39) SMN1; SMN2MAPTPDK1KMT2AMEN1
SCHEMBL2253104 0.89 ABCB1 (0.39) SMN1; SMN2MAPTKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
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
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 1544/4885PDK1 3149/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 SMN1; SMN2 2624/4885MAPT 1544/4885PDK1 3149/4885

“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.