SCHEMBL2245100

SCHEMBL2245100

CC(C)(Cc1ccccc1)N[C@@H](CCC(N)=O)C(=O)OC(=O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 3/20 0.38
HSP90AA1 P07900 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MMP8 P22894 2/20 0.37
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2251636 0.90 MMP2 (0.42) HPGDMAPTKMT2AMEN1NPC1
SCHEMBL2251277 0.89 MMP2 (0.42) HPGDMAPTKMT2AMEN1RAB9A
SCHEMBL2247537 0.87 MMP2 (0.42) MAPTKMT2AMEN1RAB9AMMP8
SCHEMBL2248438 0.86 MMP2 (0.36) MAPTRAB9AMMP8MMP2MMP12
SCHEMBL2249344 0.86 MMP2 (0.45) MAPTRAB9AMMP8MMP2MMP12
SCHEMBL2248535 0.85 SMN1; SMN2 (0.45) MMP8MMP2MMP12ADAMTS5SMN1; SMN2
SCHEMBL2249781 0.85 MMP2 (0.39) MMP8MMP2MMP12ADAMTS5SMN1; SMN2
SCHEMBL2245082 0.83 HPGDS (0.40) HPGDNPC1RAB9AMMP8MMP2
SCHEMBL2249892 0.82 MMP2 (0.49) MAPTKMT2AMEN1RAB9AMMP8
SCHEMBL2247715 0.82 CYP3A4 (0.39) MAPTKMT2AMEN1MMP8MMP2

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 HPGD 1335/4885MAPT 1544/4885KMT2A 2364/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HPGD 1335/4885MAPT 1544/4885KMT2A 2364/4885

“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.