SCHEMBL2249032

SCHEMBL2249032

CC(C)(Cc1ccc(Cl)cc1)N(C(=O)c1ccc(-c2ccc(F)c(Cl)c2)s1)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
HSD17B1 P14061 10/20 0.35
HSD17B2 P37059 10/20 0.35
RPA1 P27694 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
STS P08842 1/20 0.33
ICMT O60725 1/20 0.32
F2 P00734 2/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL2247277 0.96 HSD17B1 (0.37) IKBKBERCC5FEN1HSD17B1HSD17B2
SCHEMBL2244013 0.95 HSD17B2 (0.36) ERCC5FEN1HSD17B1HSD17B2KDM4E
SCHEMBL2246075 0.92 IKBKB (0.39) IKBKBHSD17B1HSD17B2KDM4EMAPT
SCHEMBL2254209 0.89 IKBKB (0.41) IKBKBHSD17B1HSD17B2MMP2
SCHEMBL2245314 0.89 ERCC5 (0.35) IKBKBERCC5FEN1HSD17B1HSD17B2
SCHEMBL2253017 0.88 HSD17B2 (0.39) IKBKBERCC5FEN1HSD17B1HSD17B2
SCHEMBL27708310 0.85 HSD17B2 (0.36) ERCC5FEN1HSD17B1HSD17B2KDM4E
SCHEMBL2254349 0.84 IKBKB (0.39) IKBKBLMNAMAPTMMP2
SCHEMBL2251810 0.83 ALDH1A1 (0.42) IKBKBKDM4ELMNAMAPTRAB9A
SCHEMBL2248055 0.82 MMP2 (0.42) RPA1MMP2MMP3ICMTF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 IKBKB 1637/4885ERCC5 3178/4885FEN1 3270/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 IKBKB 1637/4885ERCC5 3178/4885FEN1 3270/4885

“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.