SCHEMBL4474552

SCHEMBL4474552

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.41
ANXA2 P07355 2/20 0.39
S100A10 P60903 2/20 0.39
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
CACNA1B Q00975 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MDM2 Q00987 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
SLC6A9 P48067 1/20 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
SCHEMBL4470665 0.91 CTDSP1 (0.41) CTDSP1ANXA2S100A10PSEN1PSEN2
SCHEMBL4466929 0.89 DNMT1 (0.38) ANXA2S100A10TP53MAPTPPARD
SCHEMBL27528481 0.86 CYP11B1 (0.41) ANXA2S100A10ALDH1A1POLB
SCHEMBL13708559 0.85 SLC9A1 (0.35) ANXA2S100A10CACNA1BTP53MAPT
SCHEMBL4467127 0.83 ALDH1A1 (0.37) ANXA2S100A10CACNA1BTP53MAPT
SCHEMBL4468907 0.83 NPC1 (0.38) CACNA1BTP53ALDH1A1MDM2KDM4E
SCHEMBL4479423 0.82 MDM2 (0.47) TP53MDM2KDM4EPOLBALOX15
SCHEMBL4473969 0.82 EDNRB (0.38) CACNA1BTP53ALDH1A1MDM2KDM4E
SCHEMBL4478418 0.82 KDM4E (0.42) ANXA2S100A10CACNA1BTP53MAPT
SCHEMBL4473163 0.80 MCL1 (0.39) ANXA2S100A10TP53MAPTALDH1A1

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 CTDSP1 3561/4885ANXA2 3036/4885S100A10 3305/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 CTDSP1 3324/4885ANXA2 3055/4885S100A10 3366/4885

“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.