SCHEMBL2247635

SCHEMBL2247635

CC(C)(Cc1ccccc1)N(C(=O)c1ccc(-c2cncnc2)cc1)[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
PPARG P37231 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
MMP2 P08253 3/20 0.33
MMP9 P14780 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL2245867 0.91 MMP2 (0.40) MMP2MMP9HDAC3HDAC1HDAC2
SCHEMBL2245162 0.88 ERN1 (0.36) MMP2MMP9HDAC3HDAC1HDAC2
SCHEMBL2244927 0.88 PPARG (0.37) PPARGMMP2MMP9ALDH1A1MAPT
SCHEMBL2247320 0.87 MMP2 (0.35) CYP3A4GPR119MMP2MMP9HDAC3
SCHEMBL2245193 0.87 MMP2 (0.43) MCHR1CYP1A2CYP3A4HSD17B10MMP2
SCHEMBL2245812 0.86 HDAC1 (0.37) MMP2MMP9HDAC1HDAC6ALDH1A1
SCHEMBL4621840 0.84 KMT2A (0.37) CYP3A4ALDH1A1ALOX15
SCHEMBL4622703 0.84 MMP2 (0.35) MMP2MMP9ALDH1A1MAPTHPGD
SCHEMBL2244641 0.83 MMP2 (0.38) PPARGMMP2ALDH1A1HPGDADAMTS5
SCHEMBL2254233 0.83 HPGDS (0.41) HDAC8HDAC3HDAC1HDAC2HDAC4

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 MCHR1 2836/4885PPARG 3581/4885CYP1A2 4799/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MCHR1 2836/4885PPARG 3581/4885CYP1A2 4799/4885

“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.