SCHEMBL2248677

SCHEMBL2248677

NC(=O)CC[C@@H](C(=O)O)N(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.43
HDAC6 Q9UBN7 2/20 0.42
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
BCL2L2 Q92843 1/20 0.35
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL2248790 0.93 P2RX7 (0.42) P2RX7HDAC6LMNAKDM4E
SCHEMBL2251592 0.89 P2RX7 (0.44) P2RX7HDAC6ALDH1A1MAPTPOLB
SCHEMBL2250197 0.89 P2RX7 (0.41) P2RX7HDAC6BCL2L2
SCHEMBL2247340 0.88 P2RX7 (0.44) P2RX7HDAC6LMNAALDH1A1
SCHEMBL2247480 0.86 FFAR1 (0.36) P2RX7HDAC6
SCHEMBL2244037 0.82 EPHX2 (0.36) P2RX7ALDH1A1POLB
SCHEMBL2247496 0.82 HSD17B2 (0.40)
SCHEMBL4649130 0.74 MMP2 (0.40) MMP2MMP9ALDH1A1MAPTHPGD
SCHEMBL3591193 0.71 ADAMTS4 (0.41) MMP2MMP9
SCHEMBL2249544 0.71 MMP12 (0.39) MMP2MMP9LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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 P2RX7 3071/4885HDAC6 139/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 P2RX7 3071/4885HDAC6 139/4885MMP2 49/4885

“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.