SCHEMBL2247480

SCHEMBL2247480

NC(=O)CC[C@@H](C(=O)O)N(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(-c2ccc3occc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
P2RX7 Q99572 2/20 0.36
CTNNB1 P35222 4/20 0.36
WNT3A P56704 4/20 0.36
AR P10275 1/20 0.34
DYRK1A Q13627 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CHRNA7 P36544 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CA2 P00918 1/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31

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
SCHEMBL2248677 0.86 P2RX7 (0.43) P2RX7HDAC6
SCHEMBL2248790 0.84 P2RX7 (0.42) P2RX7HDAC6MEN1THRBRECQL
SCHEMBL2251592 0.82 P2RX7 (0.44) P2RX7HDAC6MEN1KMT2ARARB
SCHEMBL2250197 0.82 P2RX7 (0.41) P2RX7HDAC6MEN1KMT2A
SCHEMBL2247340 0.80 P2RX7 (0.44) P2RX7HDAC6MEN1KMT2ACA2
SCHEMBL2244037 0.76 EPHX2 (0.36) P2RX7MEN1KMT2A
SCHEMBL2247496 0.74 HSD17B2 (0.40) FFAR1MEN1KMT2A
SCHEMBL2247477 0.70 CCKBR (0.51) P2RX7CTNNB1WNT3A
SCHEMBL3584964 0.67 F7 (0.44)
SCHEMBL31369589 0.64 FFAR1 (0.49) FFAR1DYRK1ARECQLCA2

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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP 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 FFAR1 3780/4885P2RX7 3071/4885CTNNB1 4701/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FFAR1 3780/4885P2RX7 3071/4885CTNNB1 4701/4885

“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.