SCHEMBL127553

SCHEMBL127553

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@]6(OC(=O)CC(C)(C)C6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.62
PTPN2 P17706 7/20 0.62
F3 P13726 3/20 0.62
PNLIP P16233 1/20 0.62
NOS2 P35228 1/20 0.62
POLB P06746 3/20 0.60
AKR1B10 O60218 3/20 0.60
GPBAR1 Q8TDU6 3/20 0.60
PSMB11 A5LHX3 2/20 0.60
PSMA7 O14818 2/20 0.60
PLA2G1B P04054 2/20 0.60
PTPRC P08575 2/20 0.60
PTPRF P10586 2/20 0.60
PSMB1 P20618 2/20 0.60
CES1 P23141 2/20 0.60
ACP1 P24666 2/20 0.60
PSMA1 P25786 2/20 0.60
PSMA2 P25787 2/20 0.60
PSMA3 P25788 2/20 0.60
PSMA4 P25789 2/20 0.60

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
SCHEMBL5799296 0.81 PTPN1 (0.73) PTPN1PTPN2F3PNLIPNOS2
SCHEMBL2586364 0.81 PTPN1 (0.73) PTPN1PTPN2F3PNLIPNOS2
SCHEMBL381229 0.79 PTPN1 (0.69) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL6898284 0.77 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL12313105 0.77 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL18687844 0.77 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL18688313 0.77 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL246220 0.77 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL12200334 0.77 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2
Oleanonic Acid SCHEMBL12337276 0.77 PTPN2 (1.00) PTPN1PTPN2F3PNLIPNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318425-B2 Inhibition of HIV-1 replication by disruption of the processing of the viral capsid-spacer peptide 1 protein The United States of America, as represented by the Secretary, Department & Human Services (US) 2012-11-27 US disclosed
US-20120214775-A1 Pharmaceutical Salts of 3-O-(3',3'-Dimethylsuccinyl) Betulinic Acid MYREXIS, INC. (US) 2012-08-23 US disclosed
EP-1868613-B1 POLYMORPHS OF 3-O-(3',3'-DIMETHYLSUCCINYL) BETULINIC ACID DI-N-METHYL-D-GLUCAMINE MYREXIS INC (US) 2012-03-07 EP disclosed
US-7799768-B2 Polymorphs of 3-O-(3′,3′-dimethylsuccinyl)betulinic acid di-N-methyl-D-glucamine MYREXIS, INC. (US) 2010-09-21 US disclosed
US-20100221264-A1 Inhibition of HIV-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein PANACOS PHARMACEUTICALS, INC. (US) 2010-09-02 US disclosed
EP-1758640-A4 INHIBITION OF HIV-1 REPLICATION BY DISRUPTION OF THE PROCESSING OF THE VIRAL CAPSID-SPACER PEPTIDE 1 PROTEIN PANACOS PHARMACEUTICALS INC (US) 2009-06-03 EP disclosed
US-7537765-B2 Inhibition of HIV-1 replication by disruption of the processing of the viral capsid-spacer peptide 1 protein PANACOS PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-20080233559-A1 Inhibition of HIV-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein PANACOS PHARMACEUTICALS, INC. 2008-09-25 US disclosed
US-20080200550-A1 Inhibition of Hiv-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein V.I. TECHNOLOGIES, INC. (US) 2008-08-21 US disclosed
EP-1868613-A4 POLYMORPHS OF 3-O-(3',3'-DIMETHYLSUCCINYL) BETULINIC ACID DI-N-METHYL-D-GLUCAMINE PANACOS PHARMACEUTICALS INC (US) 2008-04-30 EP disclosed
EP-1730163-A1 PHARMACEUTICALS SALTS OF 3-O-(3,3-DIMETHYLSUCCINYL) BETULINIC ACID Panacos Pharmaceuticals, Inc. (US) 2006-12-13 EP disclosed
US-20060252704-A1 Polymorphs of 3-O-(3',3'-dimethylsuccinyl)betulinic acid di-N-methyl-D-glucamine PANACOS PHARMACEUTICALS, INC. (US) 2006-11-09 US disclosed
WO-2006110810-A2 POLYMORPHS OF 3-O-(3',3'-DIMETHYLSUCCINYL) BETULINIC ACID DI-N-METHYL-D-GLUCAMINE PANACOS PHARMACEUTICALS, INC. (US) 2006-10-19 WO disclosed
WO-2005113059-A2 DISRUPTION OF THE PROCESSING OF THE VIRAL CAPSID-SPACER PEPTIDE 1 PROTEIN PANACOS PHARMACEUTICALS, INC. (US) 2005-12-01 WO disclosed
EP-1594435-A2 INHIBITION OF HIV-1 REPLICATION BY DISRUPTION OF THE PROCESSING OF THE VIRAL CAPSID-SPACER PEPTIDE 1 PROTEIN Salzwedel, Karl (US) 2005-11-16 EP disclosed
US-20050239748-A1 Pharmaceutical salts of 3-O-(3',3'-dimethylsuccinyl) betulinic acid PANACOS PHARMACEUTICALS, INC. (US) 2005-10-27 US disclosed
WO-2005090380-A1 PHARMACEUTICALS SALTS OF 3-O-(3',3'-DIMETHYLSUCCINYL) BETULINIC ACID PANACOS PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
US-20050015039-A1 Inhibition of HIV-1 replication by disruption of the processing of the viral capsid-spacer peptide 1 protein V.I. TECHNOLOGIES, INC. 2005-01-20 US disclosed
US-20040265320-A1 Inhibition of HIV-1 replication by disruption of the processing of the viral capsid-spacer peptide 1 protein V.I. TECHNOLOGIES, INC. 2004-12-30 US disclosed
WO-2004069166-A2 INHIBITION OF HIV-1 REPLICATION BY DISRUPTION OF THE PROCESSING OF THE VIRAL CAPSID-SPACER PEPTIDE 1 PROTEIN PANACOS PHARMACEUTICALS, INC. (US) 2004-08-19 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 (6 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-20040265320-A1 Inhibition of HIV-1 replication by disruption of the processing of the viral capsid-spacer peptide 1 protein SP1, CPSF1, BET1 PTPN1 4095/4885PTPN2 4553/4885F3 2191/4885
US-20050239748-A1 Pharmaceutical salts of 3-O-(3',3'-dimethylsuccinyl) betulinic acid BET1, OGG1, MPG PTPN1 4022/4885PTPN2 4435/4885F3 3165/4885
US-20060252704-A1 Polymorphs of 3-O-(3',3'-dimethylsuccinyl)betulinic acid di-N-methyl-D-glucamine HLA-DRB1, MPG, OGG1 PTPN1 2196/4885PTPN2 2341/4885F3 4183/4885
US-20120214775-A1 Pharmaceutical Salts of 3-O-(3',3'-Dimethylsuccinyl) Betulinic Acid BET1, OGG1, MPG PTPN1 4022/4885PTPN2 4435/4885F3 3165/4885
US-20100221264-A1 Inhibition of HIV-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein SP1, CPSF1, BET1 PTPN1 4095/4885PTPN2 4553/4885F3 2191/4885
US-20080200550-A1 Inhibition of Hiv-1 Replication by Disruption of the Processing of the Viral Capsid-Spacer Peptide 1 Protein SP1, CPSF1, SUB1 PTPN1 4076/4885PTPN2 4528/4885F3 2166/4885

“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.