SCHEMBL2247125

SCHEMBL2247125

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.47
MMP12 P39900 4/20 0.47
MMP2 P08253 3/20 0.47
ADAMTS5 Q9UNA0 2/20 0.47
NAALAD2 Q9Y3Q0 2/20 0.45
CPA3 P15088 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
GGH Q92820 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HPGDS O60760 1/20 0.41

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
SCHEMBL2247361 0.88 MMP2 (0.55) MMP8MMP12MMP2ADAMTS5PTPN1
SCHEMBL2254023 0.88 MMP2 (0.55) MMP8MMP12MMP2ADAMTS5PTPN1
SCHEMBL2246745 0.88 MMP2 (0.43) MMP8MMP12MMP2ADAMTS5CYP3A4
SCHEMBL2246516 0.88 MMP2 (0.55) MMP8MMP12MMP2ADAMTS5PTPN1
SCHEMBL2247130 0.83 KMT2A (0.48) MMP8MMP12MMP2ADAMTS5NAALAD2
SCHEMBL2248452 0.80 ADAMTS4 (0.52) MMP8MMP12MMP2ADAMTS5NAALAD2
SCHEMBL2244572 0.77 FOLH1 (0.39) NAALAD2ALDH1A1CYP2C19CYP2D6GGH
SCHEMBL19719687 0.76 TSHR (0.43) MMP2ERAP2ERAP1LNPEP
SCHEMBL28589169 0.75 FOLH1 (0.42) NAALAD2CYP3A4CYP2C19CYP2D6GGH
SCHEMBL2247874 0.75 FOLH1 (0.42) NAALAD2CYP3A4CYP2C19CYP2D6GGH

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 6 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
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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 MMP8 70/4885MMP12 54/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP8 70/4885MMP12 54/4885MMP2 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.