SCHEMBL2245158

SCHEMBL2245158

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.65
ADAMTS5 Q9UNA0 2/20 0.59
ADAMTS4 O75173 1/20 0.59
MAPK14 Q16539 1/20 0.54
MLYCD O95822 1/20 0.54
MMP2 P08253 2/20 0.53
MMP12 P39900 2/20 0.53
MMP8 P22894 1/20 0.53
MCHR1 Q99705 1/20 0.49
MTTP P55157 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MEN1 O00255 1/20 0.47
PLA2G1B P04054 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL2245982 0.94 KDM1A (0.58) KDM1AADAMTS5ADAMTS4MMP2MMP12
SCHEMBL2246335 0.87 MMP2 (0.58) KDM1AADAMTS5ADAMTS4MMP2MMP12
SCHEMBL3576509 0.86 ADAMTS5 (0.62) KDM1AADAMTS5ADAMTS4MMP2MMP12
SCHEMBL2244721 0.85 MAPK14 (0.59) KDM1AADAMTS5ADAMTS4MAPK14MMP2
SCHEMBL2247941 0.85 MMP2 (0.56) KDM1AADAMTS5ADAMTS4MMP2MMP12
SCHEMBL2245471 0.85 MMP2 (0.69) KDM1AADAMTS5ADAMTS4MMP2MMP12
SCHEMBL2247634 0.84 ADAMTS5 (0.54) KDM1AADAMTS5ADAMTS4MMP2MMP12
SCHEMBL2247574 0.84 MMP2 (0.56) KDM1AADAMTS5ADAMTS4MMP2MMP12
SCHEMBL3591190 0.82 CTSB (0.55) KDM1AADAMTS5ADAMTS4MMP2MMP12
SCHEMBL2244671 0.82 MMP2 (0.58) KDM1AADAMTS5ADAMTS4MMP2MMP12

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 KDM1A 634/4885ADAMTS5 1/4885ADAMTS4 5/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KDM1A 634/4885ADAMTS5 1/4885ADAMTS4 5/4885

“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.