SCHEMBL5838155

SCHEMBL5838155

O=C1C=CN(c2c(F)cc(N3CC(CNC(=O)C(F)(F)S)OC3=O)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.49
MAOA P21397 6/20 0.44
MAOB P27338 5/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
CALML3 P27482 1/20 0.44
SDHA P31040 1/20 0.44
F10 P00742 10/20 0.41

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
SCHEMBL5838381 0.89 F10 (0.44) CYP2E1MAOAMAOBLMNAPTGS1
SCHEMBL5837655 0.89 MAOB (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5838249 0.87 MAOA (0.58) CYP2E1MAOAMAOBLMNAPTGS1
SCHEMBL5839156 0.85 CYP2E1 (0.50) CYP2E1MAOAMAOBLMNAPTGS1
SCHEMBL5839555 0.85 CYP2E1 (0.50) CYP2E1MAOAMAOBLMNAPTGS1
SCHEMBL5838912 0.85 CYP2E1 (0.50) CYP2E1MAOAMAOBLMNAPTGS1
SCHEMBL5839391 0.84 CYP2E1 (0.49) CYP2E1MAOAMAOBLMNAPTGS1
SCHEMBL5839211 0.84 CYP2E1 (0.47) CYP2E1MAOAMAOBLMNAPTGS1
SCHEMBL5838147 0.83 CYP2E1 (0.49) CYP2E1MAOAMAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL5839214 0.78 CYP2E1 (0.54) CYP2E1MAOAMAOBLMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105547-B2 Antimicrobial 1-aryl dihydropyridone compounds PHARMACIA AND UPJOHN COMPANY (US) 2006-09-12 US claimed
EP-1554273-A1 ANTIMICROBIAL 1-ARYL DIHYDROPYRIDONE COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2005-07-20 EP claimed
US-20050070580-A1 Antimicrobial 1-aryl dihydropyridone compounds GORDEEV MIKHAIL FEDOR (US) 2005-03-31 US claimed
WO-2004033449-A1 ANTIMICROBIAL 1-ARYL DIHYDROPYRIDONE COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-22 WO claimed
US-7105547-B2 Antimicrobial 1-aryl dihydropyridone compounds PHARMACIA AND UPJOHN COMPANY (US) 2006-09-12 US disclosed
US-20050070580-A1 Antimicrobial 1-aryl dihydropyridone compounds GORDEEV MIKHAIL FEDOR (US) 2005-03-31 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-20050070580-A1 Antimicrobial 1-aryl dihydropyridone compounds TLR1, QDPR, AP1S1 CYP2E1 1078/4885MAOA 3032/4885MAOB 3414/4885

“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.