SCHEMBL2249781

SCHEMBL2249781

CCC(C)c1ccc(-c2ccc(C(=O)OC(=O)[C@H](CCC(N)=O)NC(C)(C)Cc3ccccc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MMP9 P14780 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CASR P41180 2/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
GRIA4 P48058 2/20 0.34
SLC1A5 Q15758 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2251277 0.86 MMP2 (0.42) MMP2MMP8MMP12ADAMTS5KDM4E
SCHEMBL2245100 0.85 HPGD (0.41) MMP2MMP8MMP12ADAMTS5KDM4E
SCHEMBL2249344 0.85 MMP2 (0.45) MMP2MMP8MMP12ADAMTS5KDM4E
SCHEMBL2247537 0.84 MMP2 (0.42) MMP2MMP8MMP12ADAMTS5KDM4E
SCHEMBL2248535 0.84 SMN1; SMN2 (0.45) MMP2MMP8MMP12ADAMTS5CYP3A4
SCHEMBL4621031 0.84 KDM4E (0.46) MMP2MMP8MMP12ADAMTS5KDM4E
SCHEMBL2249892 0.82 MMP2 (0.49) MMP2MMP8MMP12ADAMTS5KDM4E
SCHEMBL2247715 0.82 CYP3A4 (0.39) MMP2MMP8MMP12ADAMTS5KDM4E
SCHEMBL4365446 0.82 KDM4E (0.46) MMP2MMP8MMP12ADAMTS5KDM4E
SCHEMBL2248438 0.81 MMP2 (0.36) MMP2MMP8MMP12ADAMTS5KDM4E

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.