SCHEMBL4467104

SCHEMBL4467104

O=C(O)CC1c2cc(C(F)(F)F)ccc2C(=O)N1CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
LIPG Q9Y5X9 3/20 0.39
LIPC P11150 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CETP P11597 1/20 0.37
LPL P06858 1/20 0.37
FFAR1 O14842 1/20 0.37
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL13708583 0.86 SLC9A1 (0.35) LIPGLIPCKDM2BCYP11B1CYP11B2
SCHEMBL4479204 0.85 CYP11B1 (0.47) LIPGLPLCYP11B1CYP11B2
SCHEMBL4179228 0.84 CTDSP1 (0.41) FFAR4PTGDR2CTDSP1PPARDPPARA
SCHEMBL4179224 0.84 CTDSP1 (0.41) FFAR4PTGDR2CTDSP1PPARDPPARA
SCHEMBL4473718 0.83 CYP11B1 (0.35) PTGDR2LIPGLIPCCYP11B1CYP11B2
SCHEMBL4473805 0.83 CYP11B1 (0.35) PTGDR2LIPGLIPCCYP11B1CYP11B2
SCHEMBL4473169 0.83 CYP11B1 (0.35) PTGDR2LIPGLIPCCYP11B1CYP11B2
SCHEMBL4467831 0.82 CYP11B1 (0.36) PTGDR2CYP11B1CYP11B2
SCHEMBL4470665 0.81 CTDSP1 (0.41) FFAR4PTGDR2CTDSP1CYP11B1CYP11B2
SCHEMBL27556671 0.81 LIPG (0.37) LIPGLPLFFAR1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589117-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-15 US disclosed
CN-1290833-C N- ((3-oxo2, 3-dihydro-1H-isoindol-1-yl) acetyl) guanidine derivatives as NHE-1 inhibitors for the treatment of infarction and angina pectoris SANOFI AVENTIS PHARMA GMBH (DE) 2006-12-20 CN disclosed
US-7078428-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-18 US disclosed
US-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 US disclosed
EP-1528923-B1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-05-03 EP disclosed
CN-1658869-A N- ((3-oxo-2, 3-dihydro-1H-isoindol-1-yl) acetyl) guanidine derivatives as NHE-1 inhibitors for the treatment of infarcts and angina pectoris AVENTIS PHARMA GMBH (DE) 2005-08-24 CN disclosed
EP-1528923-A1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS Aventis Pharma Deutschland GmbH (DE) 2005-05-11 EP disclosed
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUSCHLAND GMBH (DE) 2004-03-11 US disclosed
WO-2003101450-A1 N- ((3-OXO2, 3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYL) GUANIDINE DERIVATIVES AS NHE-1 INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-11 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-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 FFAR4 2397/4885PTGDR2 325/4885CTDSP1 3561/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 FFAR4 2484/4885PTGDR2 331/4885CTDSP1 3324/4885

“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.