SCHEMBL2250802

SCHEMBL2250802

CC(C)(Cc1ccc(F)cc1)N[C@@H](CCC(N)=O)C(=O)OC(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
ADRB3 P13945 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35

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
SCHEMBL2248052 0.92 EDNRA (0.40) MMP2MMP8MMP12ADAMTS5ADRB2
SCHEMBL2249892 0.89 MMP2 (0.49) MMP2MMP8MMP12ADAMTS5ADRB2
SCHEMBL2247856 0.89 MMP2 (0.40) MMP2MMP8MMP12ADAMTS5ADRB2
SCHEMBL2249992 0.89 MMP2 (0.40) MMP2MMP8MMP12ADAMTS5MAPT
SCHEMBL2254236 0.87 MMP2 (0.47) MMP2MMP8MMP12ADAMTS5ADRB2
SCHEMBL2248771 0.87 MMP2 (0.44) MMP2MMP8MMP12ADAMTS5ADRB2
SCHEMBL2247595 0.85 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5ADRB2
SCHEMBL2252907 0.85 MAOB (0.44) ADRB2ADRB1ADRB3SMN1; SMN2RAB9A
SCHEMBL2242489 0.85 MMP2 (0.46) MMP2MMP8MMP12ADAMTS5ADRB2
SCHEMBL2248057 0.84 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MMP2 49/4885MMP8 70/4885MMP12 54/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885MMP8 70/4885MMP12 54/4885

“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.