SCHEMBL335177

SCHEMBL335177

CCCCC(=Cc1ccc(OC)nc1NC(=O)C(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.40
PSEN1 P49768 11/20 0.40
PPARG P37231 10/20 0.40
PTGES O14684 9/20 0.40
APEX1 P27695 1/20 0.39

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
SCHEMBL335175 0.77 AR (0.35)
SCHEMBL335174 0.76 APP (0.41)
SCHEMBL335176 0.76 APP (0.41)
SCHEMBL3330309 0.75 ATM (0.39)
SCHEMBL3330314 0.75 ATM (0.39)
SCHEMBL1313705 0.72 POLB (0.36)
SCHEMBL1313707 0.70 POLB (0.39)
SCHEMBL30884726 0.70 PARP2 (0.46)
SCHEMBL336655 0.69 L3MBTL1 (0.41)
SCHEMBL3348511 0.67 POLB (0.40)

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
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
EP-2300477-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials GLAXO GROUP LIMITED (GB) 2011-03-24 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-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYCS ALOX5 2561/4885PSEN1 4042/4885PPARG 1901/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 ALOX5 1350/4885PSEN1 1972/4885PPARG 1941/4885

“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.