Sugi Predict

Sugi Predict / Compounds / SCHEMBL7460871

SCHEMBL7460871

SCHEMBL7460871

CC(C)(C)[C@@H](CO)NC(=O)C(CC(=O)OCc1ccccc1)N1C=CN(c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMEL1 Q495T6 1/20 0.34
▸ SLC15A1 P46059 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ NAAA Q02083 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7607062 1.00 KLK7 (0.36) KLK7KLK5MMP9MAPTRAB9A
SCHEMBL7454216 0.87 ADAMTS4 (0.35) MMP1MMEL1SMN1; SMN2
SCHEMBL7454224 0.87 ADAMTS4 (0.35) MMP1MMEL1SMN1; SMN2
SCHEMBL7454200 0.87 ADAMTS4 (0.35) MMP1MMEL1SMN1; SMN2
SCHEMBL7610988 0.87 MMP3 (0.42) MMP9MMP1
SCHEMBL7610993 0.87 MMP3 (0.42) MMP9MMP1
SCHEMBL7462650 0.86 MMP2 (0.37) MMP9MMP1
SCHEMBL7670550 0.86 MMP2 (0.37) MMP9MMP1
SCHEMBL7457497 0.86 MMP2 (0.37) MMP9MMP1
SCHEMBL7592290 0.82 ALDH1A1 (0.39) MMP9MAPTRAB9AMMEL1SLC15A1

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-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 — — US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 — — US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 — — US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 — — US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 — — US disclosed
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 — — EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 — — 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 (1 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 KLK7 469/4885KLK5 194/4885MMP9 1/4885

“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.