SCHEMBL2249535

SCHEMBL2249535

Cc1cccc(CN[C@@H](CCC(=O)O)C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 4/20 0.54
POLB P06746 1/20 0.44
HPGDS O60760 1/20 0.44
PDCD1 Q15116 2/20 0.43
CD274 Q9NZQ7 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MMP13 P45452 2/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
FFAR1 O14842 2/20 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
SCHEMBL2251929 0.84 MEP1B (0.52) MEP1BHPGDSFFAR4MMP13MMP2
SCHEMBL2249541 0.84 L3MBTL1 (0.50) MEP1BPOLBPDCD1CD274ALDH1A1
SCHEMBL2247649 0.84 FOLH1 (0.56) MEP1BHPGDSFFAR1
SCHEMBL2246565 0.84 FOLH1 (0.56) MEP1BHPGDSCYP2D6MMP13MMP2
SCHEMBL2248272 0.84 MEN1 (0.51) MEP1BPOLBALDH1A1KDM4EHPGD
SCHEMBL2250165 0.83 FFAR1 (0.48) MEP1BHPGDSALDH1A1MMP13MMP2
SCHEMBL2247717 0.83 MEP1B (0.46) MEP1BHPGDSPDCD1CD274ALDH1A1
SCHEMBL2250379 0.81 FFAR1 (0.54) MEP1BFFAR4AURKARPS6KB1FFAR1
SCHEMBL2247043 0.80 CYP2D6 (0.54) MEP1BALDH1A1CYP2D6
SCHEMBL2245669 0.78 MAPK14 (0.49) MEP1BFFAR4FFAR1

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 MEP1B 2803/4885POLB 3997/4885HPGDS 1417/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MEP1B 2803/4885POLB 3997/4885HPGDS 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.