SCHEMBL3584070

SCHEMBL3584070

CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)CCl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
ACE P12821 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.44
BCL2 P10415 4/20 0.43
MCL1 Q07820 1/20 0.43
AKT1 P31749 1/20 0.43

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
SCHEMBL17083769 0.89 PPARG (0.57) PPARGPPARAACEITGB3ITGA2B
SCHEMBL17083262 0.88 PPARG (0.56) PPARGPPARAACEITGB3ITGA2B
SCHEMBL500869 0.88 PPARG (0.56) PPARGPPARAACEITGB3ITGA2B
SCHEMBL468113 0.88 PPARG (0.56) PPARGPPARAACEITGB3ITGA2B
SCHEMBL14303544 0.88 PPARG (0.56) PPARGPPARAACEITGB3ITGA2B
SCHEMBL440723 0.87 PPARA (0.68) PPARGPPARAACEITGB3ITGA2B
SCHEMBL6674404 0.87 PPARG (0.59) PPARGPPARAACEITGB3ITGA2B
SCHEMBL3784750 0.87 PPARG (0.59) PPARGPPARAACEITGB3ITGA2B
SCHEMBL30912525 0.87 PPARG (0.59) PPARGPPARAACEITGB3ITGA2B
SCHEMBL199415 0.87 PPARA (0.68) PPARGPPARAACEITGB3ITGA2B

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-20100144741-A1 ETHANOLAMINE DERIVATIVES USEFUL AS BACE INHIBITORS FREDERIKSEN MATHIAS 2010-06-10 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
EP-2094645-A1 2-HYDROXY-1,3-DIAMINOPROPANE DERIVATIVES Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008062044-A1 2-HYDROXY-1,3-DIAMINOPROPANE DERIVATIVES NOVARTIS AG (CH) 2008-05-29 WO disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20100144741-A1 ETHANOLAMINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP PPARG 4514/4885PPARA 4130/4885ACE 17/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 PPARG 4598/4885PPARA 4050/4885ACE 405/4885

“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.