SCHEMBL7405181

SCHEMBL7405181

O=C(O)C[C@H](C(=O)N[C@H](CO)Cc1ccccc1)c1ccc(-c2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
CYP3A4 P08684 1/20 0.49
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 4/20 0.46
RPS6KA5 O75582 2/20 0.46
RPS6KA4 O75676 2/20 0.46
PRKACA P17612 2/20 0.46
GSK3B P49841 2/20 0.46
PRKX P51817 2/20 0.46
PRKG1 Q13976 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
GSK3A P49840 1/20 0.46
IRAK1 P51617 1/20 0.46
PKN2 Q16513 1/20 0.46
SGK2 Q9HBY8 1/20 0.46
MME P08473 9/20 0.42
ACE P12821 5/20 0.42
LIMK1 P53667 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7610751 1.00 MAPK1 (0.49) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7410197 0.75 MMP2 (0.50)
SCHEMBL7410195 0.75 MMP2 (0.50)
SCHEMBL7765152 0.72 MMP2 (0.55)
SCHEMBL9752001 0.72 MAPK1 (0.62) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL27182846 0.72 MAPK1 (0.62) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7457031 0.72 MAPK1 (0.62) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7460063 0.71 MAPK1 (0.49) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7460067 0.71 MAPK1 (0.49) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL15517273 0.71 MME (0.58) MAPK1CYP3A4ROCK2ROCK1RPS6KA5

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 MAPK1 2565/4885CYP3A4 692/4885ROCK2 359/4885

“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.