SCHEMBL3585812

SCHEMBL3585812

O=C(O)CC[C@H](NC(=O)c1cccc(-c2cccs2)c1)C(=O)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PADI6 Q6TGC4 1/20 0.52
HPGDS O60760 2/20 0.51
MMP2 P08253 2/20 0.51
MMP10 P09238 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
CCKBR P32239 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HTR2A P28223 1/20 0.48
KAT6A Q92794 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
SCHEMBL3582721 0.92 HPGDS (0.61) HPGDSMMP2MMP10MMP9MMP8
SCHEMBL2248084 0.90 HPGDS (0.57) HPGDSMMP2MMP10MMP9MMP8
SCHEMBL3583969 0.87 PADI6 (0.64) PADI6HPGDSMMP2CCKBR
SCHEMBL2244910 0.85 MMP12 (0.60) HPGDSMMP2MMP10MMP9MMP8
SCHEMBL2248314 0.83 HPGDS (0.68) HPGDSMMP2MMP10MMP9MMP8
SCHEMBL3588641 0.80 RAB9A (0.48) HPGDSMMP2MMP10MMP9MMP8
SCHEMBL3576509 0.79 ADAMTS5 (0.62) MMP2MMP8MMP12MMP13CCKBR
SCHEMBL3587165 0.79 MMP2 (0.55) PADI6MMP2CCKBR
SCHEMBL2245223 0.79 HPGDS (0.55) HPGDSMMP2MMP10MMP9MMP8
SCHEMBL2247181 0.79 MMP2 (0.57) MMP2MMP10MMP9MMP8MMP12

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 6 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-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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO 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 PADI6 284/4885HPGDS 1417/4885MMP2 49/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PADI6 284/4885HPGDS 1417/4885MMP2 49/4885

“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.