SCHEMBL656528

SCHEMBL656528

[O]S(=O)(=O)c1ccc2cccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.50
AKR1B1 P15121 1/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2642960 0.93 PTGS2 (0.47) PTGS2AKR1B1CASP1ALDH1A1HSD17B10
SCHEMBL5711493 0.84 PTGS2 (0.52) PTGS2AKR1B1MEN1APAF1NPC1
SCHEMBL15879481 0.80 PTGS2 (0.48) PTGS2AKR1B1MEN1APAF1NPC1
SCHEMBL27842438 0.80 CA1 (0.54) PTGS2CA12CA1CA2CA9
SCHEMBL29353151 0.80 PTGS2 (0.48) PTGS2AKR1B1MEN1APAF1NPC1
SCHEMBL2447766 0.80 PTGS2 (0.64) PTGS2RAB9AL3MBTL1ALDH1A1PTGS1
SCHEMBL140117 0.80 PTGS2 (0.48) PTGS2AKR1B1MEN1APAF1NPC1
SCHEMBL2445593 0.79 PTGS2 (0.48) PTGS2MEN1APAF1NPC1LMNA
SCHEMBL14740337 0.78 PTGS2 (0.47) PTGS2AKR1B1MEN1APAF1NPC1
SCHEMBL310988 0.78 PTGS2 (0.47) PTGS2AKR1B1MEN1APAF1NPC1

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-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-23 US disclosed
US-8053598-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
EP-1745014-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2011-07-06 EP disclosed
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP disclosed
EP-1558571-B1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-02 EP disclosed
US-7709528-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-04 US disclosed
US-20090012171-A1 Novel Compounds, Their Preparation and Use NOVO NORDISK A/S (CZ) 2009-01-08 US disclosed
US-20060287393-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2006-12-21 US disclosed
US-7129268-B2 Peroxisome proliferator activated receptor-active arylene acetic acid derivatives NOVO NORDISK A/S (DK) 2006-10-31 US disclosed
US-20050080115-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-04-14 US disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 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 (5 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-20060287393-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA PTGS2 554/4885AKR1B1 906/4885MEN1 4820/4885
US-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA PTGS2 554/4885AKR1B1 906/4885MEN1 4820/4885
US-20090012171-A1 Novel Compounds, Their Preparation and Use PPARG, PPARD, PPARA PTGS2 603/4885AKR1B1 663/4885MEN1 4793/4885
US-20050080115-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA PTGS2 554/4885AKR1B1 906/4885MEN1 4820/4885
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE PPARG, PPARD, PPARA PTGS2 554/4885AKR1B1 906/4885MEN1 4820/4885

“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.