SCHEMBL127212

SCHEMBL127212

C=C(C)[C@@H]1CC[C@]2(C3OC(=O)CC(C)(C)C3=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.60
TOP2A P11388 2/20 0.60
CES2 O00748 1/20 0.60
CES1 P23141 1/20 0.60
RORC P51449 9/20 0.58
ALB P02768 3/20 0.58
USP2 O75604 2/20 0.58
LMNA P02545 2/20 0.58
HIF1A Q16665 2/20 0.58
NT5E P21589 2/20 0.58
AKR1B10 O60218 1/20 0.58
POLB P06746 1/20 0.58
GLI1 P08151 1/20 0.58
AKR1B1 P15121 1/20 0.58
DPP4 P27487 1/20 0.58
GPBAR1 Q8TDU6 1/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
RELA Q04206 1/20 0.56
EGLN2 Q96KS0 1/20 0.56

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
SCHEMBL3688550 0.87 PTPN1 (0.60) PTPN1TOP2ACES2CES1RORC
Lupeol SCHEMBL561024 0.76 PTPN1 (1.00) PTPN1TOP2ACES2CES1RORC
Lupeol SCHEMBL17036708 0.76 PTPN1 (1.00) PTPN1TOP2ACES2CES1RORC
Lupeol SCHEMBL14067725 0.76 PTPN1 (1.00) PTPN1TOP2ACES2CES1RORC
Lupeol SCHEMBL7742344 0.76 PTPN1 (1.00) PTPN1TOP2ACES2CES1RORC
Lupeol SCHEMBL10061311 0.76 PTPN1 (1.00) PTPN1TOP2ACES2CES1RORC
Lupeol SCHEMBL148518 0.76 PTPN1 (1.00) PTPN1TOP2ACES2CES1RORC
Lupeol SCHEMBL21847985 0.76 PTPN1 (1.00) PTPN1TOP2ACES2CES1RORC
Lupeol SCHEMBL21927816 0.76 PTPN1 (1.00) PTPN1TOP2ACES2CES1RORC
Lupeol SCHEMBL18100186 0.76 PTPN1 (1.00) PTPN1TOP2ACES2CES1RORC

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 4095/4885TOP2A 2519/4885CES2 3154/4885
US-20050239748-A1 Pharmaceutical salts of 3-O-(3',3'-dimethylsuccinyl) betulinic acid BET1, OGG1, MPG PTPN1 4022/4885TOP2A 145/4885CES2 3449/4885
US-20060252704-A1 Polymorphs of 3-O-(3',3'-dimethylsuccinyl)betulinic acid di-N-methyl-D-glucamine HLA-DRB1, MPG, OGG1 PTPN1 2196/4885TOP2A 137/4885CES2 2901/4885
US-20120214775-A1 Pharmaceutical Salts of 3-O-(3',3'-Dimethylsuccinyl) Betulinic Acid BET1, OGG1, MPG PTPN1 4022/4885TOP2A 145/4885CES2 3449/4885
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 4095/4885TOP2A 2519/4885CES2 3154/4885
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 4076/4885TOP2A 2319/4885CES2 3068/4885

“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.