SCHEMBL2249695

SCHEMBL2249695

CC(C)(Cc1ccc(Cl)cc1)N[C@@H](CCC(N)=O)C(=O)OC(=O)c1ccc(-c2ccc(Br)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
IKBKB O14920 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NFKB1 P19838 1/20 0.33
KDM1A O60341 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
NLRP3 Q96P20 1/20 0.33
KLKB1 P03952 3/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32

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
SCHEMBL2245793 0.92 MMP2 (0.41) IKBKBKDM1AKMT2AMMP2MMP8
SCHEMBL2248438 0.91 MMP2 (0.36) MMP2MMP8MMP12ADAMTS5MAPT
SCHEMBL2254353 0.90 IKBKB (0.40) FNTAFNTBIKBKBCYP3A4CYP1A2
SCHEMBL2247715 0.89 CYP3A4 (0.39) FNTAFNTBCYP3A4CYP1A2CYP2D6
SCHEMBL2247342 0.86 MMP2 (0.41) FNTAFNTBIKBKBKDM1AKLKB1
SCHEMBL2253122 0.86 MMP2 (0.41) FNTAFNTBIKBKBKDM1AKLKB1
SCHEMBL2245203 0.85 MMP2 (0.38) MEN1KMT2AMMP2MMP8MMP12
SCHEMBL2242489 0.85 MMP2 (0.46) FNTAFNTBCYP3A4CYP1A2CYP2D6
SCHEMBL2246078 0.84 IKBKB (0.40) FNTAFNTBIKBKBCYP3A4CYP1A2
SCHEMBL2254211 0.84 IKBKB (0.42) FNTAFNTBIKBKBCYP3A4CYP1A2

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 FNTA 2080/4885FNTB 2490/4885IKBKB 1637/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FNTA 2080/4885FNTB 2490/4885IKBKB 1637/4885

“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.