SCHEMBL2248452

SCHEMBL2248452

CC(C)(N[C@@H](CCC(=O)O)C(N)=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
HPGDS O60760 1/20 0.42
PTPN1 P18031 1/20 0.42
MMP12 P39900 3/20 0.42
MMP8 P22894 3/20 0.42
MMP2 P08253 2/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.40
GGH Q92820 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MMP13 P45452 2/20 0.40
GAA P10253 1/20 0.40
MMP9 P14780 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
CA12 O43570 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
SCHEMBL27545629 0.84 MAPT (0.40) ADAMTS4ADAMTS5HPGDSMMP2MAPT
SCHEMBL2248455 0.82 KMT2A (0.50) ADAMTS4ADAMTS5MMP2MAPTKMT2A
SCHEMBL2247125 0.80 MMP8 (0.47) ADAMTS4ADAMTS5HPGDSPTPN1MMP12
SCHEMBL28589169 0.77 FOLH1 (0.42) HPGDSKMT2ANAALAD2GGHCYP2C19
SCHEMBL2247874 0.77 FOLH1 (0.42) HPGDSKMT2ANAALAD2GGHCYP2C19
Hydrochloric Acid SCHEMBL28575792 0.76 FOLH1 (0.41) HPGDSKMT2ANAALAD2GGHCYP2C19
SCHEMBL27138798 0.75 CYP2C19 (0.44) ADAMTS4ADAMTS5MMP2MAPTKMT2A
SCHEMBL19361268 0.74 MAPT (0.48) MAPTKMT2ACYP2C19HIF1ALMNA
SCHEMBL2246745 0.74 MMP2 (0.43) ADAMTS5MMP12MMP8MMP2CYP2C19
SCHEMBL4821017 0.73 GAA (0.51) ADAMTS4HPGDSPTPN1MMP12MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADAMTS4 5/4885ADAMTS5 1/4885HPGDS 1417/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS4 5/4885ADAMTS5 1/4885HPGDS 1417/4885

“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.