SCHEMBL4479423

SCHEMBL4479423

CC(C)CN1C(=O)c2cc(Cl)ccc2C1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 11/20 0.47
TP53 P04637 8/20 0.47
FDFT1 P37268 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
MCL1 Q07820 2/20 0.39
FFAR1 O14842 1/20 0.36
P2RX7 Q99572 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 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
SCHEMBL4466269 0.90 MDM2 (0.45) MDM2TP53FDFT1KDM4EHPGD
SCHEMBL4468907 0.86 NPC1 (0.38) MDM2TP53KDM4EPOLBALOX15
SCHEMBL4473969 0.85 EDNRB (0.38) MDM2TP53KDM4EMCL1FFAR1
SCHEMBL27568972 0.85 ALDH1A1 (0.43) MDM2TP53KDM4EHPGD
SCHEMBL4466885 0.85 FFAR1 (0.38) MDM2TP53FDFT1KDM4EHPGD
SCHEMBL13708554 0.84 MDM2 (0.37) MDM2TP53KDM4EHPGDMCL1
SCHEMBL4474014 0.83 FFAR4 (0.40) MDM2TP53KDM4EPOLBALOX15
SCHEMBL4466929 0.83 DNMT1 (0.38) MDM2TP53KDM4EMCL1FFAR1
SCHEMBL4467132 0.82 MDM2 (0.38) MDM2TP53KDM4EHPGDMCL1
SCHEMBL4474552 0.82 CTDSP1 (0.41) MDM2TP53KDM4EPOLBALOX15

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 MDM2 1402/4885TP53 2869/4885FDFT1 418/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 MDM2 1566/4885TP53 3009/4885FDFT1 366/4885

“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.