SCHEMBL2248790

SCHEMBL2248790

NC(=O)CC[C@@H](C(=O)O)N(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.42
HDAC6 Q9UBN7 2/20 0.37
CNR2 P34972 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TPH1 P17752 1/20 0.31
EPHX2 P34913 1/20 0.31
GRIN2B Q13224 1/20 0.31
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 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 0.93 P2RX7 (0.43) P2RX7HDAC6KDM4ELMNA
SCHEMBL2251592 0.88 P2RX7 (0.44) P2RX7HDAC6TPH1EPHX2HSD11B1
SCHEMBL2247340 0.88 P2RX7 (0.44) P2RX7HDAC6LMNAMEN1KMT2A
SCHEMBL2250197 0.84 P2RX7 (0.41) P2RX7HDAC6HSD11B1MEN1KMT2A
SCHEMBL2247480 0.84 FFAR1 (0.36) P2RX7HDAC6MEN1THRBRECQL
SCHEMBL2244037 0.83 EPHX2 (0.36) P2RX7CNR2EPHX2MEN1KMT2A
SCHEMBL2247496 0.81 HSD17B2 (0.40) CNR2MEN1KMT2A
SCHEMBL4649130 0.67 MMP2 (0.40) KDM4ETPH1
SCHEMBL3588588 0.66 ALOX5 (0.52)
SCHEMBL2245162 0.66 ERN1 (0.36) HDAC6KDM4ELMNAMEN1KMT2A

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 P2RX7 3071/4885HDAC6 139/4885CNR2 2615/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 P2RX7 3071/4885HDAC6 139/4885CNR2 2615/4885

“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.