SCHEMBL2250693

SCHEMBL2250693

Cc1cccc(CN[C@@H](CCC(=O)O)C(N)=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
MEP1B Q16820 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
MMP12 P39900 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MMP2 P08253 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 1/20 0.37
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36

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
SCHEMBL2249742 0.89 KDM4E (0.48) HPGDSMEP1BMMP12KDM4EMMP2
SCHEMBL2250698 0.84 L3MBTL1 (0.44) KDM4CKDM4EMMP2PDCD1CD274
SCHEMBL2245797 0.79 FOLH1 (0.56) KDM4EALDH1A1MAPTPSMB5
SCHEMBL2252960 0.78 FOLH1 (0.54) HPGDSMEP1BMMP12KDM4EMMP2
SCHEMBL2247333 0.78 ITGA4 (0.53) ALDH1A1
SCHEMBL2249535 0.76 MEP1B (0.54) HPGDSMEP1BMMP12KDM4EMMP2
SCHEMBL10889781 0.76 PDCD1 (0.44) KDM4CKDM4EP2RX7PDCD1CD274
SCHEMBL2251929 0.76 MEP1B (0.52) HPGDSMEP1BMMP12MMP2MMP8
SCHEMBL2248321 0.75 EPHX2 (0.49) KDM4EALDH1A1FFAR1
SCHEMBL2250165 0.75 FFAR1 (0.48) HPGDSMEP1BMMP12MMP2MMP8

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 HPGDS 1417/4885MEP1B 2803/4885KDM4C 1786/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 HPGDS 1417/4885MEP1B 2803/4885KDM4C 1786/4885

“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.