SCHEMBL3380097

SCHEMBL3380097

CC(C)(C)CC(NC(=O)C(N)c1ccc(OCCOC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.39
SORT1 Q99523 2/20 0.39
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
ACE P12821 2/20 0.35
MME P08473 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR88 Q9GZN0 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL3380095 1.00 GRN (0.39) GRNSORT1ITGB3ITGA2BACE
SCHEMBL5080235 0.80 POLB (0.38) POLB
SCHEMBL918298 0.73 GRN (0.49) GRNSORT1ACEMMECPA1
SCHEMBL918296 0.73 GRN (0.49) GRNSORT1ACEMMECPA1
SCHEMBL844276 0.71 CTSS (0.50) ITGB3ITGA2BGPR88MAPK1SMN1; SMN2
SCHEMBL844277 0.71 CTSS (0.50) ITGB3ITGA2BGPR88MAPK1SMN1; SMN2
SCHEMBL3661621 0.67 SMN1; SMN2 (0.53) POLBL3MBTL1GPR88LMNAMAPK1
SCHEMBL6500178 0.66 CA12 (0.62) ITGB3ITGA2BGAAGPR88
SCHEMBL919340 0.66 CTSS (0.42) GRNSORT1POLBTDP1MAPK1
SCHEMBL15000353 0.66 KMT2A (0.49) HTTPOLBTDP1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF GRN 989/4885SORT1 4632/4885ITGB3 4777/4885

“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.