SCHEMBL3595965

SCHEMBL3595965

COc1cccc(-c2cccc(COc3ccc(-c4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)NCc5ccccc5)cc4)cc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.53
MMP2 P08253 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
FFAR1 O14842 2/20 0.48
AKR1B1 P15121 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
HDAC1 Q13547 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
ADAMTS4 O75173 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
KDM1A O60341 4/20 0.46
DHFR P00374 1/20 0.46
KDM1B Q8NB78 1/20 0.46

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
SCHEMBL3583723 0.97 KLKB1 (0.54) KLKB1MMP2NPC1RAB9ACTSS
SCHEMBL3577147 0.94 KLKB1 (0.56) KLKB1MMP2NPC1RAB9ACTSS
SCHEMBL3583762 0.91 CTSS (0.53) KLKB1MMP2NPC1RAB9ACTSS
SCHEMBL3589157 0.90 KLKB1 (0.50) KLKB1MMP2NPC1RAB9ACTSS
SCHEMBL2247357 0.88 MMP2 (0.61) KLKB1MMP2NPC1RAB9ACTSS
SCHEMBL3588585 0.88 KLKB1 (0.57) KLKB1MMP2CTSSCTSKFFAR1
SCHEMBL2250713 0.88 MMP12 (0.54) NPC1RAB9AFFAR1AKR1B1FFAR4
SCHEMBL3589180 0.87 CTSB (0.54) KLKB1MMP2CTSSCTSKFFAR1
SCHEMBL3584342 0.87 GRM5 (0.54) KLKB1MMP2ADAMTS5KDM1ADHFR
SCHEMBL3584792 0.86 FOLH1 (0.54) KLKB1MMP2CTSSCTSKCTSL

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 KLKB1 1174/4885MMP2 49/4885NPC1 3103/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KLKB1 1174/4885MMP2 49/4885NPC1 3103/4885

“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.