SCHEMBL4465322

SCHEMBL4465322

O=S(=O)(c1ccc(O)c(O)c1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
PKLR P30613 1/20 0.60
SERPINE1 P05121 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
TSHR P16473 3/20 0.57
LMNA P02545 1/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 3/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
PKM P14618 1/20 0.55
CASP1 P29466 1/20 0.55

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
SCHEMBL13286817 0.88 PKLR (0.73) POLBPKLRSERPINE1LMNAMEN1
SCHEMBL12218547 0.86 TSHR (0.69) POLBSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4259089 0.84 L3MBTL1 (0.60) POLBSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4259087 0.84 L3MBTL1 (0.60) POLBSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4469033 0.83 SERPINE1 (0.72) POLBPKLRSERPINE1SMN1; SMN2TSHR
SCHEMBL12793245 0.82 POLB (0.88) POLBSMN1; SMN2TSHRLMNAMEN1
SCHEMBL2923158 0.81 POLB (0.73) POLBSMN1; SMN2TSHRLMNAMEN1
SCHEMBL10037165 0.80 PKM (0.60) POLBPKLRSERPINE1LMNAMEN1
SCHEMBL1647843 0.79 KDM4E (0.62) POLBSMN1; SMN2TSHRLMNAMEN1
SCHEMBL28072234 0.79 POLB (0.76) POLBSMN1; SMN2TSHRLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527878-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-27 US disclosed
US-9527878-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-27 US disclosed
US-20160009748-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF TO MODULATE LIPID METABOLISM THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-01-14 US disclosed
US-20160009748-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF TO MODULATE LIPID METABOLISM THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-01-14 US disclosed
US-9120744-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-01 US disclosed
US-9120744-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-01 US disclosed
US-20100137194-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2010-06-03 US disclosed
US-20100137194-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2010-06-03 US disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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 (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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 POLB 4170/4885PKLR 2459/4885SERPINE1 3536/4885
US-20100137194-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism SERPINE1, PLAT, SERPINB1 POLB 3604/4885PKLR 622/4885SERPINE1 1/4885
US-20160009748-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF TO MODULATE LIPID METABOLISM SERPINE1, PLAT, SERPINB1 POLB 3604/4885PKLR 622/4885SERPINE1 1/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 POLB 4219/4885PKLR 2543/4885SERPINE1 2410/4885

“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.