SCHEMBL2734692

SCHEMBL2734692

CCOC(=O)C(Cc1ccccc1)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
SERPINA3 P01011 1/20 0.45
HPRT1 P00492 1/20 0.38
ABCB1 P08183 5/20 0.36
HDAC1 Q13547 2/20 0.36
ADCY2 Q08462 1/20 0.35
PDGFRA P16234 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NR1I2 O75469 1/20 0.33
ALB P02768 1/20 0.33
PDE4D Q08499 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33
CDK1 P06493 1/20 0.33

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
SCHEMBL2734820 1.00 POLB (0.54) POLBSERPINA3HPRT1ABCB1HDAC1
SCHEMBL2734823 0.94 POLB (0.52) POLBSERPINA3ABCB1HDAC1ADCY2
SCHEMBL2734816 0.94 POLB (0.56) POLBSERPINA3ABCB1HDAC1PDGFRA
SCHEMBL2734822 0.93 POLB (0.56) POLBSERPINA3ABCB1HDAC1ADCY2
SCHEMBL2759897 0.93 POLB (0.58) POLBSERPINA3ABCB1HDAC1PDGFRA
SCHEMBL2734834 0.92 POLB (0.58) POLBSERPINA3HPRT1ABCB1HDAC1
SCHEMBL2734809 0.90 POLB (0.57) POLBSERPINA3ABCB1HDAC1PDGFRA
SCHEMBL2759922 0.89 POLB (0.58) POLBSERPINA3ABCB1HDAC1PDGFRA
SCHEMBL2734818 0.88 POLB (0.54) POLBSERPINA3ABCB1HDAC1PDGFRA
SCHEMBL14625132 0.88 SERPINA3 (0.45) POLBSERPINA3HPRT1HDAC1ADCY2

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 12 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
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-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 1896/4885HPRT1 2556/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885SERPINA3 1896/4885HPRT1 2556/4885

“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.