SCHEMBL2226958

SCHEMBL2226958

O=C(OC[C@H]1OC(OC(=O)c2ccc(O)c(O)c2)[C@@H](OC(=O)c2ccc(O)c(O)c2)[C@@H](OC(=O)c2ccc(O)c(O)c2)[C@@H]1OC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.97
▸ CA1 P00915 2/20 0.68
▸ CA2 P00918 2/20 0.68
▸ TMPRSS2 O15393 1/20 0.68
▸ USP2 O75604 1/20 0.68
▸ PDE5A O76074 1/20 0.68
▸ HMGCR P04035 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ LCK P06239 1/20 0.68
▸ FYN P06241 1/20 0.68
▸ HSPD1 P10809 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CA6 P23280 1/20 0.68
▸ TBXAS1 P24557 1/20 0.68
▸ MAPK3 P27361 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ HSPE1 P61604 1/20 0.68
▸ MAPK14 Q16539 1/20 0.68
▸ TST Q16762 1/20 0.68
▸ SLCO1B3 Q9NPD5 1/20 0.68

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
SCHEMBL2226788 1.00 PTPN1 (0.97) PTPN1CA1CA2TMPRSS2USP2
SCHEMBL13286897 1.00 PTPN1 (0.97) PTPN1CA1CA2TMPRSS2USP2
SCHEMBL5664244 1.00 PTPN1 (0.97) PTPN1CA1CA2TMPRSS2USP2
Pentagalloyl Glucose SCHEMBL19619912 0.87 USP2 (0.86) PTPN1CA1CA2TMPRSS2USP2
Pentagalloyl Glucose SCHEMBL2789358 0.87 USP2 (0.86) PTPN1CA1CA2TMPRSS2USP2
Pentagalloyl Glucose SCHEMBL23484369 0.87 USP2 (0.86) PTPN1CA1CA2TMPRSS2USP2
Pentagalloyl Glucose SCHEMBL17019593 0.87 USP2 (0.86) PTPN1CA1CA2TMPRSS2USP2
Pentagalloyl Glucose SCHEMBL13286947 0.87 USP2 (0.86) PTPN1CA1CA2TMPRSS2USP2
Pentagalloyl Glucose SCHEMBL18371558 0.87 USP2 (0.86) PTPN1CA1CA2TMPRSS2USP2
Pentagalloyl Glucose SCHEMBL3147610 0.87 USP2 (0.86) PTPN1CA1CA2TMPRSS2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011085454-A1 GP120 -BINDING BENZENE COMPOUNDS AND SACCHARIDE COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-07-21 — — WO claimed
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
WO-2011085454-A1 GP120 -BINDING BENZENE COMPOUNDS AND SACCHARIDE COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-07-21 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100137194-A1 Plasminogen Activator Inhibitor-1 Inhibitors and Methods of Use Thereof to Modulate Lipid Metabolism SERPINE1, PLAT, SERPINB1 PTPN1 1989/4885CA1 3712/4885CA2 4081/4885
US-20160009748-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF TO MODULATE LIPID METABOLISM SERPINE1, PLAT, SERPINB1 PTPN1 1989/4885CA1 3712/4885CA2 4081/4885

“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.

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