SCHEMBL5863937

SCHEMBL5863937

CCOC(=O)c1cc(NC(=O)OC(C)(C)C)cnc1CBr

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 5/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DPP4 P27487 5/20 0.38
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ RORC P51449 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL5863951 0.87 MAPKAPK2 (0.40) MAPKAPK2ALDH1A1ALOX15KDM4EMAPT
SCHEMBL5593053 0.86 ALDH1A1 (0.47) MAPKAPK2ALDH1A1ALOX15KDM4EMAPT
SCHEMBL5820080 0.77 ATR (0.42) MAPKAPK2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL1810634 0.75 NAMPT (0.45) MAPKAPK2KDM4EMAPTNPSR1
SCHEMBL4398673 0.75 CYP2C19 (0.54) ALDH1A1KDM4EMAPTNPSR1
SCHEMBL29719412 0.75 CYP2C19 (0.54) ALDH1A1KDM4EMAPTNPSR1
SCHEMBL12457999 0.75 DPP4 (0.47) ALDH1A1KDM4EDPP4CYP4F2CYP4A11
SCHEMBL25323091 0.75 ATR (0.49) MAPKAPK2RORC
SCHEMBL17986656 0.74 MAPT (0.37) MAPKAPK2KDM4EMAPTNPSR1RORC
SCHEMBL18398582 0.74 OPRK1 (0.48) ALDH1A1NPSR1DPP4CYP4F2CYP4A11

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
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 — — US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 — — US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 — — US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 — — EP 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC MAPKAPK2 4258/4885ALDH1A1 1345/4885ALOX15 722/4885

“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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