SCHEMBL2249291

SCHEMBL2249291

Cc1ccc(-c2ccc(C(=O)N([C@@H](CCC(N)=O)C(=O)O)C(C)(C)Cc3ccc(F)cc3)cc2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.35
MMP8 P22894 3/20 0.35
MMP12 P39900 3/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
TPH1 P17752 2/20 0.33
MCHR1 Q99705 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
MAPT P10636 2/20 0.32
JAK2 O60674 1/20 0.31
MMP13 P45452 4/20 0.31
MMP1 P03956 2/20 0.31
ITK Q08881 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
MMP9 P14780 3/20 0.30
FFAR1 O14842 1/20 0.30
ATR Q13535 1/20 0.30
PPARA Q07869 1/20 0.30
TP53 P04637 1/20 0.30
HPGDS O60760 1/20 0.30

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
SCHEMBL2249514 0.87 HSD17B2 (0.42) MMP2MMP8MMP12ADAMTS5MCHR1
SCHEMBL2251479 0.86 DRD2 (0.39) MMP2MMP8MMP12ADAMTS5MAPT
SCHEMBL2247913 0.85 MMP2 (0.39) MMP2MMP8MMP12ADAMTS5TPH1
SCHEMBL2245193 0.85 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5MCHR1
SCHEMBL2248091 0.84 HSD17B2 (0.41) MMP2MMP8MMP12ADAMTS5MCHR1
SCHEMBL2247408 0.84 ACKR3 (0.41) MMP2MMP8MMP12ADAMTS5HSD17B1
SCHEMBL2244955 0.84 HSD17B2 (0.45) HSD17B1HSD17B2MAPTTRPM8HPGDS
SCHEMBL2247162 0.84 MMP2 (0.37) MMP2MMP8MMP12ADAMTS5TPH1
SCHEMBL2248296 0.84 MMP2 (0.40) MMP2MMP8MMP12ADAMTS5TPH1
SCHEMBL2247375 0.83 IKBKB (0.39) MCHR1HSD17B1HSD17B2MAPTPPARA

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.