SCHEMBL4470840

SCHEMBL4470840

CS(=O)(=O)c1ccc2c(c1)C(=O)N(CC(F)(F)F)C2=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
CA9 Q16790 9/20 0.41
CA12 O43570 5/20 0.41
PTGS2 P35354 2/20 0.40
CA4 P22748 4/20 0.40
BRD4 O60885 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CHRM2 P08172 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
SCHEMBL4462968 0.74 HPGD (0.40) CA1CA2CA9CA12CA4
SCHEMBL4466822 0.74 NR1I2 (0.46) CA9ALDH1A1CHRM2
SCHEMBL4468495 0.74 CHRM2 (0.36) ALDH1A1CHRM2
SCHEMBL18491534 0.73 ALOX5 (0.58) CA1CA2CA9CA12CA4
SCHEMBL17372950 0.73 TERT (0.47) CA1CA2CA9CA12ALDH1A1
SCHEMBL22939448 0.73 CA12 (0.48) CA9CA12ALDH1A1CHRM2
SCHEMBL4472485 0.72 PTGS2 (0.36) PTGS2ALDH1A1
SCHEMBL17948135 0.68 PKM (0.53) BRD4ALDH1A1
SCHEMBL14678930 0.65 ALDH1A1 (0.61) CA1CA2CA9CA12CA4
SCHEMBL17946078 0.65 ALDH1A1 (0.53) CA1CA2CA9CA12CA4

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 CA1 3943/4885CA2 3391/4885CA9 4803/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 CA1 3759/4885CA2 3312/4885CA9 4790/4885

“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.