SCHEMBL3588838

SCHEMBL3588838

O=C(O)CC[C@H](NC(=O)c1ccc(-c2ccc(OCc3ccccc3-c3ccccc3)cc2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.53
FFAR4 Q5NUL3 11/20 0.53
KLKB1 P03952 1/20 0.52
KDM1A O60341 3/20 0.49
NFKB1 P19838 1/20 0.49
PSMB5 P28074 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
ADAMTS4 O75173 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
MAOA P21397 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
SCHEMBL3589157 0.91 KLKB1 (0.50) FFAR1FFAR4KLKB1KDM1ANFKB1
SCHEMBL3588585 0.90 KLKB1 (0.57) FFAR1KLKB1KDM1ANFKB1PSMB5
SCHEMBL4373330 0.88 RORC (0.54) KLKB1KDM1ANFKB1PSMB5NFKB2
SCHEMBL3577147 0.87 KLKB1 (0.56) FFAR1FFAR4KLKB1KDM1ANFKB1
SCHEMBL3584887 0.85 KLKB1 (0.69) KLKB1KDM1AADAMTS4ADAMTS5
SCHEMBL2251026 0.85 MMP12 (0.57) FFAR1FFAR4PTGER4PTGER3ADAMTS4
SCHEMBL3576509 0.85 ADAMTS5 (0.62) KLKB1KDM1AADAMTS4ADAMTS5MAOA
SCHEMBL3584792 0.84 FOLH1 (0.54) KLKB1KDM1AADAMTS5PRSS1PRSS2
SCHEMBL3581707 0.84 KLKB1 (0.59) KLKB1KDM1ANFKB1NFKB2RELA
SCHEMBL3587812 0.84 KLKB1 (0.59) KLKB1KDM1AADAMTS4ADAMTS5MAOA

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 7 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
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 FFAR1 3780/4885FFAR4 4129/4885KLKB1 1174/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FFAR1 3780/4885FFAR4 4129/4885KLKB1 1174/4885

“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.