SCHEMBL1644964

SCHEMBL1644964

CC(=O)C(C)(C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.59
ALDH1A1 P00352 6/20 0.56
TSHR P16473 5/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
GLO1 Q04760 1/20 0.49
TP53 P04637 1/20 0.49
ACHE P22303 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 2/20 0.46

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
SCHEMBL1645746 0.87 PTPRC (0.59) PTPRCALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL6622555 0.87 PTPRC (0.59) PTPRCALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL31303067 0.85 PTPRC (0.57) PTPRCALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL1644927 0.85 PTPRC (0.57) PTPRCALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL7664781 0.83 PTPRC (0.55) PTPRCALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL15563384 0.82 ALDH1A1 (0.54) PTPRCALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL10197982 0.81 PTPRC (0.54) PTPRCALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL6680006 0.81 PTPRC (0.54) PTPRCALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL1645915 0.81 PTPRC (0.54) PTPRCALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL11214966 0.81 PTPRC (0.59) PTPRCALDH1A1TSHRLMNASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 PTPRC 3824/4885ALDH1A1 2813/4885TSHR 1951/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 PTPRC 4362/4885ALDH1A1 318/4885TSHR 2634/4885

“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.