SCHEMBL1108387

SCHEMBL1108387

O=S(=O)(O)CCN(CC(O)COc1ccccc1)CC(O)COc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
ABCB1 P08183 1/20 0.47
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.43
LTA4H P09960 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL13100965 0.94 POLB (0.50) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL759782 0.80 ALDH1A1 (0.67) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL6931910 0.78 MAPK1 (0.69) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL31414644 0.77 ALDH1A1 (0.67) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL31414645 0.77 ALDH1A1 (0.67) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL12131013 0.75 LTA4H (0.43) ALDH1A1ABCB1LMNALTA4H
SCHEMBL13952042 0.75 POLB (0.78) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL10760842 0.75 POLB (0.78) POLBALDH1A1MAPTMAPK1ABCB1
Sulfamate SCHEMBL9451452 0.75 CA1 (0.55) POLBMAPTCYP2D6NPSR1KDM4E
SCHEMBL6027881 0.74 POLB (0.81) POLBALDH1A1GAAMAPTMAPK1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889813-B2 Mixture comprising sulfonate group-containing compound and method of manufacturing the same, solution composition, polyurethane resin and method of manufacturing the same, and magnetic recording medium FUJIFILM CORPORATION (JP) 2014-11-18 US disclosed
US-8889813-B2 Mixture comprising sulfonate group-containing compound and method of manufacturing the same, solution composition, polyurethane resin and method of manufacturing the same, and magnetic recording medium FUJIFILM CORPORATION (JP) 2014-11-18 US disclosed
US-8795858-B2 Magnetic recording medium and method of manufacturing the same FUJIFILM CORPORATION (JP) 2014-08-05 US disclosed
US-8795858-B2 Magnetic recording medium and method of manufacturing the same FUJIFILM CORPORATION (JP) 2014-08-05 US disclosed
US-20130184426-A1 MIXTURE COMPRISING SULFONATE GROUP-CONTAINING COMPOUND AND METHOD OF MANUFACTURING THE SAME, SOLUTION COMPOSITION, POLYURETHANE RESIN AND METHOD OF MANUFACTURING THE SAME, AND MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2013-07-18 US disclosed
US-20130184426-A1 MIXTURE COMPRISING SULFONATE GROUP-CONTAINING COMPOUND AND METHOD OF MANUFACTURING THE SAME, SOLUTION COMPOSITION, POLYURETHANE RESIN AND METHOD OF MANUFACTURING THE SAME, AND MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2013-07-18 US disclosed
US-8415036-B2 Mixture comprising sulfonate group-containing compound and method of manufacturing the same, solution composition, polyurethane resin and method of manufacturing the same, and magnetic recording medium FUJIFILM CORPORATION (JP) 2013-04-09 US disclosed
US-8415036-B2 Mixture comprising sulfonate group-containing compound and method of manufacturing the same, solution composition, polyurethane resin and method of manufacturing the same, and magnetic recording medium FUJIFILM CORPORATION (JP) 2013-04-09 US disclosed
US-8153283-B2 Magnetic recording medium, method of modifying surface of magnetic powder and magnetic coating material FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-8153283-B2 Magnetic recording medium, method of modifying surface of magnetic powder and magnetic coating material FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-7737304-B2 Sulfonic acid polyol compound, polyurethane resin, polyurethane resin for magnetic recording medium, and magnetic recording medium FUJIFILM CORPORATION (JP) 2010-06-15 US disclosed
US-7737304-B2 Sulfonic acid polyol compound, polyurethane resin, polyurethane resin for magnetic recording medium, and magnetic recording medium FUJIFILM CORPORATION (JP) 2010-06-15 US disclosed
US-7737305-B2 Sulfonic acid polyol compound, polyurethane resin, polyurethane resin for magnetic recording medium, and magnetic recording medium FUJIFILM CORPORATION (JP) 2010-06-15 US disclosed
US-7737305-B2 Sulfonic acid polyol compound, polyurethane resin, polyurethane resin for magnetic recording medium, and magnetic recording medium FUJIFILM CORPORATION (JP) 2010-06-15 US disclosed
US-20090258254-A1 SULFONIC ACID POLYOL COMPOUND, POLYURETHANE RESIN, POLYURETHANE RESIN FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-10-15 US disclosed
US-20090258254-A1 SULFONIC ACID POLYOL COMPOUND, POLYURETHANE RESIN, POLYURETHANE RESIN FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-10-15 US disclosed
US-20090246560-A1 MAGNETIC RECORDING MEDIUM, METHOD OF MODIFYING SURFACE OF MAGNETIC POWDER AND MAGNETIC COATING MATERIAL FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090246560-A1 MAGNETIC RECORDING MEDIUM, METHOD OF MODIFYING SURFACE OF MAGNETIC POWDER AND MAGNETIC COATING MATERIAL FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090087687-A1 SULFONIC ACID POLYOL COMPOUND, POLYURETHANE RESIN, POLYURETHANE RESIN FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087687-A1 SULFONIC ACID POLYOL COMPOUND, POLYURETHANE RESIN, POLYURETHANE RESIN FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-04-02 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 (1 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-20090087687-A1 SULFONIC ACID POLYOL COMPOUND, POLYURETHANE RESIN, POLYURETHANE RESIN FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM ASH2L, ASIC1, HNRNPL POLB 4485/4885ALDH1A1 2461/4885GAA 3707/4885

“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.