SCHEMBL2734648

SCHEMBL2734648

CC(C)OC(=O)C(C)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)NC(C)C(=O)OC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.65
SERPINA3 P01011 1/20 0.43
ABCB1 P08183 5/20 0.42
NR1I2 O75469 1/20 0.41
ALB P02768 1/20 0.41
PDE4D Q08499 1/20 0.41
PDGFRA P16234 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
SLC22A6 Q4U2R8 2/20 0.37
FGFR1 P11362 1/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA2B P29275 3/20 0.37
ADORA1 P30542 3/20 0.37
CTSL P07711 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ABCB11 O95342 1/20 0.36
POLA1 P09884 1/20 0.36

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
SCHEMBL12339233 1.00 POLB (0.65) POLBSERPINA3ABCB1NR1I2ALB
SCHEMBL13818568 0.95 POLB (0.60) POLBSERPINA3ABCB1NR1I2ALB
SCHEMBL9925852 0.92 POLB (0.63) POLBSERPINA3ABCB1NR1I2ALB
Rabacfosadine SCHEMBL12156274 0.92 POLB (0.65) POLBSERPINA3ABCB1NR1I2ALB
Rabacfosadine SCHEMBL29379309 0.92 POLB (0.65) POLBSERPINA3ABCB1NR1I2ALB
Rabacfosadine SCHEMBL2734825 0.92 POLB (0.65) POLBSERPINA3ABCB1NR1I2ALB
SCHEMBL12339234 0.91 POLB (0.64) POLBABCB1NR1I2ALBPDE4D
SCHEMBL2734669 0.91 POLB (0.64) POLBABCB1NR1I2ALBPDE4D
SCHEMBL13810231 0.91 POLB (0.68) POLBSERPINA3ABCB1NR1I2ALB
SCHEMBL10167591 0.91 POLB (0.68) POLBSERPINA3ABCB1NR1I2ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed
US-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed
EP-2204374-B1 Nucleoside phosphonates and analogs thereof for the treatment of HPV-infections GILEAD SCIENCES INC (US) 2012-06-13 EP disclosed
US-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-1716162-B1 PHOSPHONATES, MONOPHOSPHONAMIDATES, BISPHOSPHONAMIDATES FOR THE TREATMENT OF VIRAL DISEASES GILEAD SCIENCES INC (US) 2010-08-18 EP disclosed
EP-2204374-A1 Nucleoside phosphonates and analogs thereof for the treatment of HPV-infections GILEAD SCIENCES, INC. (US) 2010-07-07 EP disclosed
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-7553825-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2009-06-30 US disclosed
US-7553825-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2009-06-30 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
US-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
WO-2007002808-A1 ANTI-NONMELANOMA CARCINOMA COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 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 (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-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885SERPINA3 1896/4885ABCB1 2328/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885SERPINA3 1896/4885ABCB1 2328/4885

“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.