SCHEMBL2244646

SCHEMBL2244646

CCCCCCN[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.51
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 1/20 0.46

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
SCHEMBL30812451 1.00 NOD1 (0.51) NOD1GPR84PPARGPPARDPPARA
SCHEMBL2251083 1.00 NOD1 (0.51) NOD1GPR84PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL29178099 0.98 NOD1 (0.50) NOD1GPR84PPARGPPARDPPARA
SCHEMBL2247417 0.98 NOD1 (0.49) NOD1GPR84PPARGPPARDPPARA
SCHEMBL28835927 0.98 NOD1 (0.49) NOD1GPR84PPARGPPARDPPARA
Ammonia Solution, Strong SCHEMBL27489455 0.97 NOD1 (0.48) NOD1GPR84PPARGPPARDPPARA
SCHEMBL25244619 0.87 NOD1 (0.60) NOD1GPR84PPARGPPARDPPARA
SCHEMBL2721132 0.87 NOD1 (0.60) NOD1GPR84PPARGPPARDPPARA
SCHEMBL8383011 0.87 NOD1 (0.60) NOD1GPR84PPARGPPARDPPARA
SCHEMBL2721131 0.87 NOD1 (0.60) NOD1GPR84PPARGPPARDPPARA

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
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 NOD1 4754/4885GPR84 817/4885PPARG 3581/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 NOD1 4754/4885GPR84 817/4885PPARG 3581/4885

“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.