SCHEMBL2247773

SCHEMBL2247773

COc1cccc(COc2ccc(-c3ccc(C(=O)OC(=O)[C@H](CCC(N)=O)NCc4cc(OC)c(OC)c(OC)c4)cc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 2/20 0.39
MAOB P27338 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
F2 P00734 1/20 0.38
F7 P08709 1/20 0.38
PRKCZ Q05513 2/20 0.37
SLC1A5 Q15758 1/20 0.37
PRKCI P41743 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL2254265 0.96 ABCB1 (0.40) ABCB1MTNR1AMTNR1BPRKCZSLC1A5
SCHEMBL2253178 0.93 KMT2A (0.40) ABCB1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2247822 0.92 ABCB1 (0.39) ABCB1MAOBMAPT
SCHEMBL2252347 0.91 TUBB4A (0.41) ABCB1SMN1; SMN2MAOBMAPT
SCHEMBL2247389 0.91 SMPD1 (0.42) ABCB1SMN1; SMN2
SCHEMBL2251183 0.89 MAPT (0.44) NPC1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL2251114 0.89 PARP10 (0.43) SMN1; SMN2MAOBMAPTHTT
SCHEMBL2251695 0.87 SMN1; SMN2 (0.45) ABCB1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL2246937 0.86 RXRA (0.43) SMN1; SMN2KDM4EALDH1A1MAPTF2
SCHEMBL2252962 0.86 MAOB (0.37) LMNASMN1; SMN2MAOBMAPTHTT

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
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
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 ABCB1 3222/4885NPC1 3103/4885LMNA 4015/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ABCB1 3222/4885NPC1 3103/4885LMNA 4015/4885

“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.