SCHEMBL2247571

SCHEMBL2247571

C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.66
MMP12 P39900 2/20 0.66
MMP2 P08253 1/20 0.66
MMP8 P22894 1/20 0.66
NPC1 O15118 2/20 0.60
ADAMTS4 O75173 1/20 0.58
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
FOLH1 Q04609 2/20 0.52
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.49
ROCK2 O75116 1/20 0.49
RPS6KA5 O75582 1/20 0.49
MAP4K4 O95819 1/20 0.49
CDK1 P06493 1/20 0.49
CSF1R P07333 1/20 0.49
PRKACA P17612 1/20 0.49

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
SCHEMBL2244960 1.00 ADAMTS5 (0.66) ADAMTS5MMP12MMP2MMP8NPC1
SCHEMBL2244358 0.92 ADAMTS5 (0.64) ADAMTS5MMP12MMP2MMP8NPC1
SCHEMBL2250885 0.92 ADAMTS5 (0.64) ADAMTS5MMP12MMP2MMP8NPC1
SCHEMBL2243985 0.92 ADAMTS5 (0.64) ADAMTS5MMP12MMP2MMP8NPC1
SCHEMBL2248728 0.83 ADAMTS5 (0.68) ADAMTS5MMP12MMP2MMP8NPC1
SCHEMBL2245328 0.81 MMP12 (0.70) ADAMTS5MMP12MMP2MMP8ADAMTS4
SCHEMBL2247106 0.80 ADAMTS5 (0.64) ADAMTS5MMP12MMP2MMP8NPC1
Agg-523 SCHEMBL2246038 0.80 ADAMTS5 (1.00) ADAMTS5MMP12MMP2MMP8NPC1
SCHEMBL2245188 0.80 ADAMTS5 (0.96) ADAMTS5MMP12MMP2MMP8ADAMTS4
Agg-523 SCHEMBL2245079 0.80 ADAMTS5 (1.00) ADAMTS5MMP12MMP2MMP8NPC1

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-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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 ADAMTS5 1/4885MMP12 54/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885MMP12 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.