SCHEMBL4179224

SCHEMBL4179224

O=C(O)CC1c2cc(C(F)(F)F)ccc2C(=O)N1CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
FFAR4 Q5NUL3 4/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KMO O15229 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34

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
SCHEMBL4179228 1.00 CTDSP1 (0.41) CTDSP1PTGDR2PSEN1PSEN2APH1B
SCHEMBL13079029 0.85 BACE1 (0.34) CYP11B1CYP11B2
SCHEMBL6275044 0.85 BACE1 (0.34) CYP11B1CYP11B2
SCHEMBL4467104 0.84 FFAR4 (0.40) CTDSP1PTGDR2FFAR4PPARDPPARA
SCHEMBL4470665 0.84 CTDSP1 (0.41) CTDSP1PTGDR2PSEN1PSEN2APH1B
SCHEMBL4466913 0.84 CYP11B1 (0.44) CYP11B1CYP11B2
SCHEMBL4185595 0.82 ALDH1A1 (0.35) CYP11B1CYP11B2
SCHEMBL4181329 0.82 ALDH1A1 (0.35) CYP11B1CYP11B2
SCHEMBL1385654 0.82 ALDH1A1 (0.35) CYP11B1CYP11B2
SCHEMBL4188600 0.80 LMNA (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283374-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-8283374-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-8283374-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-20090203761-A1 PROCESS FOR PREPARING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-13 US disclosed
US-20090203761-A1 PROCESS FOR PREPARING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-13 US disclosed
US-20090203761-A1 PROCESS FOR PREPARING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-13 US disclosed
US-7531569-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
US-7531569-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
US-7531569-B2 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
EP-1692105-B1 METHOD FOR PRODUCING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-14 EP disclosed
EP-1692105-B1 METHOD FOR PRODUCING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-14 EP disclosed
EP-1692105-A1 METHOD FOR PRODUCING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES Sanofi-Aventis Deutschland GmbH (DE) 2006-08-23 EP disclosed
WO-2005054195-A1 METHOD FOR PRODUCING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-06-16 WO disclosed
US-20050124681-A1 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-09 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-20050124681-A1 Process for preparing (3-oxo-2,3-dihydro-1H-isoindol-1-yl) acetylguanidine derivatives OGG1, HBG2, OGDH CTDSP1 3036/4885PTGDR2 710/4885PSEN1 4613/4885
US-20090203761-A1 PROCESS FOR PREPARING (3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYLGUANIDINE DERIVATIVES OGT, B3GNT2, UGT1A9 CTDSP1 3862/4885PTGDR2 78/4885PSEN1 4463/4885

“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.