SCHEMBL2247130

SCHEMBL2247130

CC(C)(Cc1ccccc1)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
MMP2 P08253 3/20 0.47
MMP9 P14780 2/20 0.47
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
NAALAD2 Q9Y3Q0 2/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
MMP8 P22894 3/20 0.40
MMP12 P39900 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL2246747 0.88 GRN (0.48) KMT2AMMP2MMP9ALDH1A1CYP3A4
SCHEMBL2246519 0.88 MMP2 (0.47) KMT2AMMP2MMP9L3MBTL1CA2
SCHEMBL2254027 0.88 MMP2 (0.47) KMT2AMMP2MMP9L3MBTL1CA2
SCHEMBL2247125 0.83 MMP8 (0.47) MMP2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2248455 0.80 KMT2A (0.50) KMT2AMMP2MMP9L3MBTL1CA2
SCHEMBL2245100 0.79 HPGD (0.41) KMT2AMMP2ALDH1A1CYP3A4CYP2C9
SCHEMBL5832633 0.77 KMT2A (0.41) KMT2AMMP2MMP9L3MBTL1NAALAD2
SCHEMBL2244574 0.77 KMT2A (0.41) KMT2AMMP2MMP9L3MBTL1NAALAD2
SCHEMBL5495801 0.77 KMT2A (0.52) KMT2AMMP2MMP9L3MBTL1NAALAD2
SCHEMBL2021994 0.77 KMT2A (0.52) KMT2AMMP2MMP9L3MBTL1NAALAD2

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 KMT2A 2364/4885MMP2 49/4885MMP9 27/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885MMP2 49/4885MMP9 27/4885

“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.