SCHEMBL2247771

SCHEMBL2247771

COc1cccc(COc2ccc(-c3ccc(C(=O)N(Cc4cc(OC)c(OC)c(OC)c4)[C@@H](CCC(=O)O)C(N)=O)cc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
SLC2A4 P14672 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
MAOB P27338 1/20 0.42
HSD17B2 P37059 2/20 0.42
POLB P06746 1/20 0.42
FFAR1 O14842 4/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 2/20 0.40
GYS1 P13807 4/20 0.40
SLC1A5 Q15758 1/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL2254262 0.95 HSD17B2 (0.47) SLC2A1SLC2A4HSD17B2FFAR1PTGES
SCHEMBL2253174 0.93 POLB (0.41) TDP1MAOBPOLBMAPTTP53
SCHEMBL2247817 0.91 HSD17B2 (0.42) SLC2A1SLC2A4TDP1HSD17B2POLB
SCHEMBL2247385 0.91 PTGES (0.44) TDP1HSD17B2POLBFFAR1PTGES
SCHEMBL2252342 0.90 HSD17B2 (0.48) HSD17B2POLBFFAR1PTGESALOX5
SCHEMBL2251182 0.89 POLB (0.46) POLBMAPTTP53THRB
SCHEMBL2251110 0.89 PARP10 (0.44) TDP1MAOBPOLBFFAR1MAPT
SCHEMBL2251692 0.86 ADAMTS4 (0.47) POLBMAPTTP53SMN1; SMN2THRB
SCHEMBL2252959 0.86 PPARD (0.39) MAOBPOLBFFAR1MAPTTHRB
SCHEMBL2247998 0.86 ADAMTS4 (0.41) POLBMAPTTP53THRB

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 SLC2A1 880/4885SLC2A4 1253/4885TDP1 1018/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 SLC2A1 880/4885SLC2A4 1253/4885TDP1 1018/4885

“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.