SCHEMBL2248535

SCHEMBL2248535

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
PDE4A P27815 6/20 0.44
PDE4B Q07343 6/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44
SMPD1 P17405 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL2247537 0.88 MMP2 (0.42) SMN1; SMN2ADRB1ADRB3MMP2MMP8
SCHEMBL2249509 0.87 F10 (0.42) SMN1; SMN2F10F2PRSS1PRSS2
SCHEMBL2249344 0.86 MMP2 (0.45) SMN1; SMN2ADRB1ADRB3MMP2MMP8
SCHEMBL2251277 0.86 MMP2 (0.42) SMN1; SMN2ADRB1ADRB3MMP2MMP8
SCHEMBL2245100 0.85 HPGD (0.41) SMN1; SMN2CYP3A4MMP2MMP8MMP12
SCHEMBL2247957 0.85 ADRB2 (0.40) SMN1; SMN2SMPD1ADRB1ADRB3MMP2
SCHEMBL2248052 0.84 EDNRA (0.40) ADRB1ADRB3MMP2MMP8MMP12
SCHEMBL2249781 0.84 MMP2 (0.39) SMN1; SMN2CYP3A4ADRB1ADRB3MMP2
SCHEMBL2246684 0.83 MMP2 (0.36) ADRB1ADRB3MMP2MMP8MMP12
SCHEMBL2245203 0.82 MMP2 (0.38) MMP2MMP8MMP12ADAMTS5

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 2624/4885PDE4A 2767/4885PDE4B 3361/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 SMN1; SMN2 2624/4885PDE4A 2767/4885PDE4B 3361/4885

“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.