SCHEMBL4576383

SCHEMBL4576383

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nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ ACE P12821 7/20 0.35
▸ PPARD Q03181 2/20 0.34
▸ MME P08473 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL4576379 1.00 PPARG (0.35) PPARGPPARAACEPPARDMME
SCHEMBL11198946 0.88 ACE (0.47) PPARGPPARAACEMMEACE2
SCHEMBL11333699 0.88 PPARG (0.33) PPARGPPARAACEPPARDMME
SCHEMBL8582126 0.86 MAPT (0.48) PPARGPPARAACE
SCHEMBL8416392 0.83 ITGB1 (0.44) PPARGPPARAACEMMEACE2
SCHEMBL11333708 0.82 ACE (0.34) PPARGPPARAACEMMEACE2
SCHEMBL31676720 0.81 MAPT (0.38) PPARGPPARAACEPPARD
SCHEMBL18954453 0.80 PPARA (0.55) PPARGPPARAACEPPARD
SCHEMBL8417827 0.77 MAPT (0.47) ACEMMEACE2
SCHEMBL1349241 0.75 POLB (0.40) ACEMMEACE2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284872-A Nitrato alkanoic acid derivatives, methods for their production, pharmaceutical compositions containing the derivatives and medicinal uses thereof SCHWARZ PHARMA AG (DE) 1994-02-08 — — US claimed
EP-1414432-A4 METHODS OF USE FOR NOVEL SULFUR CONTAINING ORGANIC NITRATE COMPOUNDS NITROMED INC (US) 2008-01-09 — — EP disclosed
US-20040152753-A1 Methods of use for novel sulfur containing organic nitrate compounds NITROMED, INC. 2004-08-05 — — US disclosed
EP-1414432-A2 METHODS OF USE FOR NOVEL SULFUR CONTAINING ORGANIC NITRATE COMPOUNDS Nitromed, Inc. (US) 2004-05-06 — — EP disclosed
WO-2003013432-A2 METHODS OF USE FOR NOVEL SULFUR CONTAINING ORGANIC NITRATE COMPOUNDS NITROMED, INC. (US) 2003-02-20 — — WO disclosed
US-5705527-A VASODILATORS AND ANGINA PECTORIS SANKYO COMPANY, LIMITED (JP) 1998-01-06 — — US disclosed
EP-0641769-B1 AMINO ACID DERIVATIVE SANKYO CO (JP) 1997-01-29 — — EP disclosed
EP-0451760-B1 Nitrato alkanoic acid derivatives and method for their production SANOL ARZNEI SCHWARZ GMBH (DE) 1995-09-13 — — EP disclosed
EP-0641769-A1 AMINO ACID DERIVATIVE SANKYO COMPANY LIMITED (JP) 1995-03-08 — — EP disclosed
US-5284872-A Nitrato alkanoic acid derivatives, methods for their production, pharmaceutical compositions containing the derivatives and medicinal uses thereof SCHWARZ PHARMA AG (DE) 1994-02-08 — — US disclosed
EP-0451760-A1 Nitrato alkanoic acid derivatives and method for their production SCHWARZ PHARMA AG (DE) 1991-10-16 — — EP 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-20040152753-A1 Methods of use for novel sulfur containing organic nitrate compounds PTGS2, NOS2, PTGS1 PPARG 892/4885PPARA 1140/4885ACE 2020/4885

“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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