SCHEMBL749982

SCHEMBL749982

C=CS(=O)(=O)CCOCCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NPC1 O15118 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL259146 0.89 ALDH1A1 (0.32) CA2ALDH1A1TP53HSD17B10
SCHEMBL4357945 0.86 ALDH1A1 (0.36) CA2ALDH1A1TP53HSD17B10
SCHEMBL16572452 0.85 ALDH1A1 (0.34) ALDH1A1TP53HSD17B10
SCHEMBL277661 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8557919 0.82
SCHEMBL9237706 0.81 CA2 (0.40) CA2ALDH1A1TP53HSD17B10
Ethylene Glycol SCHEMBL27885940 0.80 TSHR (0.33) ALDH1A1TP53MAPK1HSD17B10
SCHEMBL17453659 0.78 TSHR (0.43) ALDH1A1TP53MAPTMAPK1HTT
SCHEMBL8780035 0.78 CA2 (0.30) CA2
SCHEMBL8948892 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008941-A1 METHOD FOR PURIFYING PEGylated ERYTHROPOIETIN HOFFMANN-LA ROCHE INC. (US) 2017-01-12 US disclosed
US-9481706-B2 Purification of non-glycosylated polypeptides HOFFMANN-LA ROCHE INC. (US) 2016-11-01 US disclosed
US-8889837-B2 Purification of pegylated polypeptides HOFFMAN-LA ROCHE INC. (US) 2014-11-18 US disclosed
US-20140220633-A1 PURIFICATION OF NOT-GLYCOSYLATED POLYPEPTIDES HOFFMANN-LA ROCHE INC. (US) 2014-08-07 US disclosed
US-8795533-B2 Chromatographic methods HOFFMANN-LA ROCHE INC. (US) 2014-08-05 US disclosed
US-20140163207-A1 METHOD FOR PURIFYING PEGylated ERYTHROPOIETIN HOFFMANN-LA ROCHE INC. (US) 2014-06-12 US disclosed
US-20130190478-A1 PURIFICATION OF NOT-GLYCOSYLATED POLYPEPTIDES HOFFMANN-LA ROCHE INC. 2013-07-25 US disclosed
US-20120197007-A1 METHOD FOR PURIFYING PEGylated ERYTHROPOIETIN F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 US disclosed
US-8138317-B2 Purification of pegylated polypeptides HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20110118448-A1 Purification of pegylated polypeptides BURG JOSEF 2011-05-19 US disclosed
US-7846896-B2 PEG conjugates of NK4 HOFFMAN-LA ROCHE INC. (US) 2010-12-07 US disclosed
US-7846336-B2 regeneration of a cation exchange chromatography column for purification of polypeptides HOFFMANN-LA ROCHE INC. (US) 2010-12-07 US disclosed
US-20090118476-A1 Purification of pegylated polypeptides HOFFMANN-LA ROCHE INC. 2009-05-07 US disclosed
US-20090101585-A1 regeneration of a cation exchange chromatography column for purification of polypeptides HOFFMANN-LA ROCHE INC. 2009-04-23 US disclosed
US-7459436-B2 Treatment of disturbances of iron distribution HOFFMANN-LA ROCHE INC. (US) 2008-12-02 US disclosed
US-7459429-B2 Method of treating disturbances of iron distribution in inflammatory intestinal diseases HOFFMANN-LA ROCHE INC. (US) 2008-12-02 US disclosed
US-7459435-B2 Treatment of disturbances of iron distribution HOFFMANN-LA ROCHE INC. (US) 2008-12-02 US disclosed
US-20080085857-A1 conjugate consisting essentially of a NK4 molecule and a polyethylene glycol group having a molecular weight of from about 20 to about 40 kDa. The invention also provides a composition in which the monoPEGylated conjugates comprise at least 90% of the total of pegylated NK4 molecules and unpegylated NK4 BRANDT MICHAEL 2008-04-10 US disclosed
US-7202208-B2 Erythropoietin composition HOFFMAN-LA ROCHE INC. (US) 2007-04-10 US disclosed
US-7169754-B2 Erythropoietin composition HOFFMANN-LA ROCHE INC. (US) 2007-01-30 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 (9 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-20140220633-A1 PURIFICATION OF NOT-GLYCOSYLATED POLYPEPTIDES YIPF5, HASPIN, HM13 CA1 424/4885CA2 778/4885NPC1 3319/4885
US-20120197007-A1 METHOD FOR PURIFYING PEGylated ERYTHROPOIETIN EPOR, TFRC, RPS27A CA1 2423/4885CA2 3812/4885NPC1 2546/4885
US-20140163207-A1 METHOD FOR PURIFYING PEGylated ERYTHROPOIETIN EPOR, TFRC, RPS27A CA1 2423/4885CA2 3812/4885NPC1 2546/4885
US-20170008941-A1 METHOD FOR PURIFYING PEGylated ERYTHROPOIETIN EPOR, TFRC, RPS27A CA1 2423/4885CA2 3812/4885NPC1 2546/4885
US-20130190478-A1 PURIFICATION OF NOT-GLYCOSYLATED POLYPEPTIDES YIPF5, HASPIN, HM13 CA1 488/4885CA2 827/4885NPC1 3350/4885
US-20090118476-A1 Purification of pegylated polypeptides EPOR, HAMP, EGFR CA1 2221/4885CA2 1428/4885NPC1 1834/4885
US-20080085857-A1 conjugate consisting essentially of a NK4 molecule and a polyethylene glycol group having a molecular weight of from about 20 to about 40 kDa. The invention also provides a composition in which the monoPEGylated conjugates comprise at least 90% of the total of pegylated NK4 molecules and unpegylated NK4 PBK, IL4, CD47 CA1 2232/4885CA2 3517/4885NPC1 2651/4885
US-20110118448-A1 Purification of pegylated polypeptides EPOR, HAMP, EGFR CA1 2221/4885CA2 1428/4885NPC1 1834/4885
US-20090101585-A1 regeneration of a cation exchange chromatography column for purification of polypeptides IAPP, HDGF, HGF CA1 507/4885CA2 258/4885NPC1 1932/4885

“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.