SCHEMBL1094889

SCHEMBL1094889

Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)N1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
MAPT P10636 3/20 0.83
TSHR P16473 3/20 0.83
L3MBTL1 Q9Y468 2/20 0.83
MAPK1 P28482 1/20 0.83
CNR2 P34972 7/20 0.80
CNR1 P21554 3/20 0.74
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
KDM4E B2RXH2 2/20 0.68
USP2 O75604 2/20 0.68
HSD17B10 Q99714 2/20 0.68
ALDH1A1 P00352 1/20 0.68
HPGD P15428 1/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
HTT P42858 1/20 0.68
THRB P10828 1/20 0.67
NPSR1 Q6W5P4 1/20 0.65

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
SCHEMBL13870901 1.00 TP53 (1.00) TP53SMN1; SMN2MAPTTSHRL3MBTL1
SCHEMBL13870899 0.90 TP53 (0.81) TP53SMN1; SMN2MAPTTSHRL3MBTL1
SCHEMBL17479175 0.87 CNR2 (0.83) TP53SMN1; SMN2MAPTTSHRL3MBTL1
SCHEMBL14485213 0.85 CNR2 (1.00) TP53SMN1; SMN2MAPTTSHRL3MBTL1
SCHEMBL13532206 0.82 TP53 (0.85) TP53SMN1; SMN2MAPTTSHRL3MBTL1
SCHEMBL13870931 0.81 TP53 (0.98) TP53SMN1; SMN2MAPTTSHRL3MBTL1
SCHEMBL13870909 0.80 TP53 (1.00) TP53SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL4719951 0.80 SMN1; SMN2 (0.97) TP53SMN1; SMN2L3MBTL1MAPK1CNR2
SCHEMBL1094755 0.80 TP53 (1.00) TP53SMN1; SMN2MAPTTSHRL3MBTL1
SCHEMBL10144136 0.79 TSHR (1.00) TP53SMN1; SMN2MAPTTSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153803-B2 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION (US) 2012-04-10 US disclosed
US-8153803-B2 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION (US) 2012-04-10 US disclosed
US-20090259044-A1 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY THE GENERAL HOSPITAL CORPORATION (US) 2009-10-15 US disclosed
US-20090259044-A1 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY THE GENERAL HOSPITAL CORPORATION (US) 2009-10-15 US disclosed
EP-2068875-A2 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY The General Hospital Corporation (US) 2009-06-17 EP disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090069559-A1 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION 2009-03-12 US disclosed
US-20090069559-A1 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION 2009-03-12 US disclosed
WO-2008011476-A2 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY THE GENERAL HOSPITAL CORPORATION (US) 2008-01-24 WO disclosed
US-20080021063-A1 Compositions and methods for modulating sirtuin activity THE GENERAL HOSPITAL CORPORATION 2008-01-24 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 (4 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-20090069559-A1 Compositions and methods for modulating sirtuin activity SIRT2, SIRT1, SIRT3 TP53 2701/4885SMN1; SMN2 151/4885MAPT 206/4885
US-20090259044-A1 COMPOSITIONS AND METHODS FOR MODULATING SIRTUIN ACTIVITY SIRT2, SIRT1, SIRT3 TP53 2701/4885SMN1; SMN2 151/4885MAPT 206/4885
US-20080021063-A1 Compositions and methods for modulating sirtuin activity SIRT2, SIRT1, SIRT3 TP53 2701/4885SMN1; SMN2 151/4885MAPT 206/4885
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use NR1H2, NR1H3, HRH2 TP53 4629/4885SMN1; SMN2 1572/4885MAPT 4833/4885

“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.