SCHEMBL4682422

SCHEMBL4682422

CC(C)(C)OC[C@H](NC(=O)O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ MAPK1 P28482 1/20 0.38
▸ PYGL P06737 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ CTSK P43235 3/20 0.31
▸ CAD P27708 1/20 0.31
▸ CTSS P25774 2/20 0.30
▸ CTSL P07711 1/20 0.30
▸ KEAP1 Q14145 1/20 0.30
▸ TSHR P16473 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL18515857 0.85 GRN (0.56) GRNSORT1MAPK1PYGLCYP2C9
SCHEMBL23805208 0.82 GRN (0.41) GRNSORT1MAPK1PYGLCYP2C9
SCHEMBL23805209 0.82 GRN (0.41) GRNSORT1MAPK1PYGLCYP2C9
SCHEMBL2568153 0.81 GRN (0.43) GRNSORT1MAPK1PYGLCYP2C9
SCHEMBL13711068 0.81 MAPK1 (0.40) GRNSORT1MAPK1
SCHEMBL13711120 0.81 MAPK1 (0.40) GRNSORT1MAPK1
SCHEMBL13707916 0.78 MAPK1 (0.42) GRNSORT1MAPK1CTSKTSHR
SCHEMBL29750216 0.78 GRN (0.54) GRNSORT1MAPK1PYGLCYP2C9
SCHEMBL13707884 0.78 MAPK1 (0.42) GRNSORT1MAPK1CTSKTSHR
SCHEMBL4679745 0.77 GRN (0.50) GRNSORT1RAB9ATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 — — EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 — — EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 — — US disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 — — 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 (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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 GRN 4313/4885SORT1 4869/4885MAPK1 2523/4885

“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.

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