Sugi Predict

Sugi Predict / Compounds / SCHEMBL2245193

SCHEMBL2245193

SCHEMBL2245193

CC(C)(Cc1ccccc1)N(C(=O)c1ccc(-c2ccc(F)cc2)cc1)[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ MCHR1 Q99705 1/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 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
SCHEMBL2245867 0.94 MMP2 (0.40) MMP2MMP8MMP12ADAMTS5MAPT
SCHEMBL2247913 0.92 MMP2 (0.39) MMP2MMP8MMP12ADAMTS5MCHR1
SCHEMBL2244641 0.91 MMP2 (0.38) MMP2MMP8MMP12ADAMTS5HPGD
SCHEMBL2244927 0.91 PPARG (0.37) MMP2KIF11MAPTHPGDKDM4E
SCHEMBL2245162 0.91 ERN1 (0.36) MMP2MMP8MMP12ADAMTS5KIF11
SCHEMBL2248296 0.90 MMP2 (0.40) MMP2MMP8MMP12ADAMTS5MCHR1
SCHEMBL2247320 0.90 MMP2 (0.35) MMP2MMP8MMP12ADAMTS5CYP3A4
SCHEMBL2248091 0.89 HSD17B2 (0.41) MMP2MMP8MMP12ADAMTS5MCHR1
SCHEMBL2245312 0.89 HSD17B1 (0.43) MMP2MMP8MMP12ADAMTS5MCHR1
SCHEMBL2245812 0.89 HDAC1 (0.37) MMP2ADAMTS5MAPTHPGDMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 — — US claimed
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 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.