SCHEMBL3589157

SCHEMBL3589157

COc1cccc(-c2ccccc2COc2ccc(-c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)NCc4ccccc4)cc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.50
MMP2 P08253 1/20 0.49
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 2/20 0.49
PTGER4 P35408 3/20 0.48
PTGER3 P43115 2/20 0.48
PTGER1 P34995 1/20 0.47
PTGER2 P43116 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LCK P06239 2/20 0.46
NFKB1 P19838 1/20 0.46
PSMB5 P28074 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL3588838 0.91 FFAR1 (0.53) KLKB1FFAR1FFAR4PTGER4PTGER3
SCHEMBL3595965 0.90 KLKB1 (0.53) KLKB1MMP2FFAR1FFAR4NPC1
SCHEMBL3583723 0.90 KLKB1 (0.54) KLKB1MMP2NPC1RAB9ACTSS
SCHEMBL2250678 0.88 MMP12 (0.54) FFAR1FFAR4PTGER4PTGER3PTGER1
SCHEMBL4373330 0.87 RORC (0.54) KLKB1MMP2NPC1RAB9ANFKB1
SCHEMBL3583762 0.86 CTSS (0.53) KLKB1MMP2NPC1RAB9ALCK
SCHEMBL2247357 0.85 MMP2 (0.61) KLKB1MMP2NPC1RAB9ACTSS
SCHEMBL3577147 0.84 KLKB1 (0.56) KLKB1MMP2FFAR1FFAR4NPC1
SCHEMBL3588585 0.84 KLKB1 (0.57) KLKB1MMP2FFAR1NFKB1PSMB5
SCHEMBL2250684 0.83 POLB (0.46) FFAR1FFAR4PTGER4PTGER3PTGER1

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 KLKB1 1174/4885MMP2 49/4885FFAR1 3780/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KLKB1 1174/4885MMP2 49/4885FFAR1 3780/4885

“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.