SCHEMBL2247496

SCHEMBL2247496

COc1cccc(COc2ccc(-c3ccc(C(=O)N(CC45CC6CC(CC(C6)C4)C5)[C@@H](CCC(N)=O)C(=O)O)cc3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.40
SLC2A1 P11166 1/20 0.40
SLC2A4 P14672 1/20 0.40
FFAR1 O14842 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
SLC1A5 Q15758 1/20 0.38
FAAH O00519 1/20 0.38
CNR2 P34972 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 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
SCHEMBL2244037 0.93 EPHX2 (0.36) MEN1KMT2ATDP1FAAHCNR2
SCHEMBL2248677 0.82 P2RX7 (0.43)
SCHEMBL3595967 0.81 HSD17B2 (0.50) HSD17B2SLC2A1SLC2A4FFAR1TDP1
SCHEMBL2248790 0.81 P2RX7 (0.42) MEN1KMT2ACNR2
SCHEMBL2251592 0.80 P2RX7 (0.44) MEN1KMT2ARAB9A
SCHEMBL2250197 0.79 P2RX7 (0.41) HSD17B2MEN1KMT2AFAAHSMN1; SMN2
SCHEMBL2250531 0.77 HSD17B2 (0.43) HSD17B2SLC2A1SLC2A4FFAR1MAOB
SCHEMBL3577149 0.76 FFAR1 (0.48) FFAR1MRGPRX4PTGESALOX5F2
SCHEMBL2247340 0.75 P2RX7 (0.44) MEN1KMT2ASMN1; SMN2
SCHEMBL3589161 0.75 HSD17B2 (0.45) HSD17B2SLC2A1SLC2A4FFAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSD17B2 2502/4885SLC2A1 880/4885SLC2A4 1253/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HSD17B2 2502/4885SLC2A1 880/4885SLC2A4 1253/4885

“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.