SCHEMBL4469205

SCHEMBL4469205

CCOC(=O)CC1c2ccc(C(F)(F)F)cc2C(=O)N1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
ALDH1A1 P00352 4/20 0.40
KCNN4 O15554 1/20 0.40
CCRL2 O00421 1/20 0.40
CNR2 P34972 2/20 0.40
PPARG P37231 2/20 0.39
IDO1 P14902 1/20 0.39
NOD2 Q9HC29 3/20 0.37
NOD1 Q9Y239 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
CETP P11597 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 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
SCHEMBL4479204 0.92 CYP11B1 (0.47) CYP11B1CYP11B2ALDH1A1KCNN4CCRL2
SCHEMBL4473837 0.86 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1KCNN4PPARG
SCHEMBL27528481 0.84 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1KCNN4PPARG
SCHEMBL27552568 0.82 CHRM3 (0.37) CNR2NOD2NOD1
SCHEMBL6232997 0.82 IDO1 (0.54) ALDH1A1IDO1GAAMAPT
SCHEMBL13708585 0.80 SLC9A1 (0.37) CYP11B1CYP11B2CNR2
SCHEMBL5693153 0.78 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1KCNN4CCRL2
SCHEMBL4463367 0.78 ALDH1A1 (0.36) CYP11B1CYP11B2ALDH1A1GAA
SCHEMBL4466913 0.78 CYP11B1 (0.44) CYP11B1CYP11B2ALDH1A1KCNN4PPARG
SCHEMBL27528495 0.76 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1KCNN4PPARG

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 7 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
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
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 CYP11B1 9/4885CYP11B2 13/4885ALDH1A1 243/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 CYP11B1 8/4885CYP11B2 18/4885ALDH1A1 185/4885

“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.