Sugi Predict

Sugi Predict / Compounds / SCHEMBL7447022

SCHEMBL7447022

SCHEMBL7447022

NC(=O)c1ccc(-c2ccc(-c3ccn([C@H](CC(=O)O)C(=O)NC(CO)Cc4ccccc4)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.46
▸ ROCK1 Q13464 5/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ PRKACA P17612 3/20 0.46
▸ PRKX P51817 3/20 0.46
▸ PRKG1 Q13976 3/20 0.46
▸ CLK4 Q9HAZ1 3/20 0.46
▸ RPS6KA5 O75582 2/20 0.46
▸ RPS6KA4 O75676 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ IRAK1 P51617 2/20 0.46
▸ PKN2 Q16513 2/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ SGK2 Q9HBY8 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ HDAC8 Q9BY41 3/20 0.40
▸ ITGB3 P05106 3/20 0.40
▸ ITGA2B P08514 3/20 0.40
▸ F9 P00740 1/20 0.39
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL7461335 1.00 ROCK2 (0.46) ROCK2ROCK1MAPK1PRKACAPRKX
SCHEMBL7447017 1.00 ROCK2 (0.46) ROCK2ROCK1MAPK1PRKACAPRKX
SCHEMBL7460063 0.92 MAPK1 (0.49) ROCK2ROCK1MAPK1PRKACAPRKX
SCHEMBL7460067 0.92 MAPK1 (0.49) ROCK2ROCK1MAPK1PRKACAPRKX
SCHEMBL7665733 0.89 ROCK2 (0.42) ROCK2ROCK1MAPK1PRKACAPRKX
SCHEMBL7610970 0.89 ROCK2 (0.42) ROCK2ROCK1MAPK1PRKACAPRKX
SCHEMBL7450521 0.85 MAPK1 (0.43) ROCK2ROCK1MAPK1PRKACAPRKX
SCHEMBL7456826 0.85 MAPK1 (0.43) ROCK2ROCK1MAPK1PRKACAPRKX
SCHEMBL7451165 0.80 CYP3A4 (0.44) ROCK2ROCK1MAPK1PRKACAPRKX
SCHEMBL7451298 0.80 CYP3A4 (0.44) ROCK2ROCK1MAPK1PRKACAPRKX

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 ROCK2 359/4885ROCK1 257/4885MAPK1 2565/4885

“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.