SCHEMBL2246512

SCHEMBL2246512

CCOc1ccccc1-c1ccc(C(=O)OC(=O)[C@H](CCC(N)=O)NCc2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MME P08473 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HDAC1 Q13547 2/20 0.35
SIRT3 Q9NTG7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL2251695 0.89 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL2246937 0.87 RXRA (0.43) KMT2ASMN1; SMN2F2F10PRSS1
SCHEMBL2254247 0.86 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2HDAC1ADAMTS4ADAMTS5
SCHEMBL2247223 0.86 MAPT (0.41) KMT2AF2F10PRSS1PRSS2
SCHEMBL2244329 0.85 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2ALDH1A1HPGDHDAC1
SCHEMBL2247654 0.84 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL2248001 0.84 KDM4E (0.40) KMT2ASMN1; SMN2LMNAKDM4EHDAC1
SCHEMBL2251183 0.84 MAPT (0.44) KMT2ASMN1; SMN2LMNAADAMTS4ADAMTS5
SCHEMBL2244814 0.83 HPGDS (0.39) SMN1; SMN2LMNAALDH1A1HDAC1ADAMTS4
SCHEMBL2252347 0.83 TUBB4A (0.41) KMT2ASMN1; SMN2MMEADAMTS4ADAMTS5

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 10 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
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 KMT2A 2364/4885SMN1; SMN2 2624/4885F2 4142/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885SMN1; SMN2 2624/4885F2 4142/4885

“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.