SCHEMBL2214539

SCHEMBL2214539

CC(C)(C)OC(=O)Nc1ccc(C(C(N)C(=O)O)C(C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ MAPKAPK2 P49137 5/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ DEGS1 O15121 1/20 0.33
▸ F13A1 P00488 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ TGM1 P22735 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL30506468 0.79 DEGS1 (0.48) GRIN2BHDAC1GSK3BDYRK1ABCL2
SCHEMBL24738966 0.79 GSK3B (0.43) GRIN2BHDAC1GSK3BDYRK1ABCL2
SCHEMBL22606745 0.79 DEGS1 (0.48) GRIN2BHDAC1GSK3BDYRK1ABCL2
SCHEMBL31726922 0.78 MAPK1 (0.43) GRIN2BHDAC1GSK3BDYRK1ABCL2
SCHEMBL28071467 0.77 GSK3B (0.41) GRIN2BHDAC1GSK3BDYRK1ABCL2
SCHEMBL16296314 0.77 GSK3B (0.41) GRIN2BHDAC1GSK3BDYRK1ABCL2
SCHEMBL27946209 0.76 MAPK1 (0.42) GRIN2BHDAC1GSK3BDYRK1ABCL2
SCHEMBL18228461 0.75 NAMPT (0.46) GRIN2BHDAC1GSK3BDYRK1ABCL2
SCHEMBL28258035 0.75 GRIN2B (0.39) GRIN2BHDAC1GSK3BDYRK1ABCL2
SCHEMBL2217184 0.75 SLC7A5 (0.47) GRIN2BHDAC1NAMPTCYP17A1

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-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 — — US disclosed
US-8722655-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of tafia SANOFI (FR) 2014-05-13 — — US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 — — US disclosed
US-20110082151-A1 SULFONYLUREA MODULATORS OF ENDOTHELIN RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2011-04-07 — — 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 (2 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-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 GRIN2B 4680/4885HDAC1 208/4885GSK3B 4042/4885
US-20110082151-A1 SULFONYLUREA MODULATORS OF ENDOTHELIN RECEPTOR EDNRA, EDNRB, GLP1R GRIN2B 1597/4885HDAC1 4443/4885GSK3B 3568/4885

“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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