SCHEMBL3584792

SCHEMBL3584792

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccc(OCc3ccc4ccccc4c3)cc2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.54
KLKB1 P03952 1/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
DHFR P00374 2/20 0.51
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
CTNNB1 P35222 1/20 0.49
LCK P06239 1/20 0.49
KDM1A O60341 2/20 0.49
MCHR1 Q99705 1/20 0.47
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
ADAMTS5 Q9UNA0 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
SCHEMBL3577147 0.92 KLKB1 (0.56) KLKB1CTSLCTSBCTSSCTSK
SCHEMBL3588585 0.92 KLKB1 (0.57) KLKB1CTSSCTSKPRSS1PRSS2
SCHEMBL3584960 0.89 CTSL (0.55) FOLH1KLKB1CTSLCTSBCTSS
SCHEMBL3589180 0.88 CTSB (0.54) KLKB1CTSLCTSBCTSSCTSK
SCHEMBL3584342 0.88 GRM5 (0.54) KLKB1DHFRPRSS1PRSS2PRSS3
SCHEMBL3583723 0.88 KLKB1 (0.54) KLKB1CTSSCTSKDHFRKDM1A
SCHEMBL2248588 0.87 MMP12 (0.57) CTSLCTSBCTSSCTSKDHFR
SCHEMBL3583762 0.86 CTSS (0.53) KLKB1CTSLCTSSCTSKDHFR
SCHEMBL3595965 0.86 KLKB1 (0.53) KLKB1CTSLCTSBCTSSCTSK
SCHEMBL3584887 0.85 KLKB1 (0.69) KLKB1KDM1AMMP2MMP8MMP12

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-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
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
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 FOLH1 17/4885KLKB1 1174/4885CTSL 294/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FOLH1 17/4885KLKB1 1174/4885CTSL 294/4885

“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.