SCHEMBL2734833

SCHEMBL2734833

CCCCOC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)N[C@@H](Cc1ccccc1)C(=O)OCCCC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
SERPINA3 P01011 1/20 0.47
HDAC1 Q13547 1/20 0.41
CCNE1 P24864 6/20 0.40
CDK2 P24941 6/20 0.40
PDGFRA P16234 5/20 0.40
ADCY2 Q08462 1/20 0.39
ABCB1 P08183 5/20 0.38
FGFR1 P11362 2/20 0.37

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
SCHEMBL2734834 0.94 POLB (0.58) POLBSERPINA3HDAC1CCNE1CDK2
SCHEMBL2734823 0.92 POLB (0.52) POLBSERPINA3HDAC1CCNE1CDK2
Gs-9191 SCHEMBL2734675 0.91 POLB (0.57) POLBSERPINA3HDAC1CCNE1CDK2
Gs-9191 SCHEMBL2734836 0.91 POLB (0.57) POLBSERPINA3HDAC1CCNE1CDK2
SCHEMBL2734672 0.91 POLB (0.62) POLBHDAC1CCNE1CDK2PDGFRA
SCHEMBL13210484 0.90 POLB (0.52) POLBSERPINA3HDAC1CCNE1CDK2
SCHEMBL12339243 0.90 POLB (0.61) POLBSERPINA3HDAC1CCNE1CDK2
SCHEMBL2759923 0.90 POLB (0.62) POLBSERPINA3HDAC1CCNE1CDK2
SCHEMBL2734835 0.89 POLB (0.61) POLBHDAC1CCNE1CDK2PDGFRA
SCHEMBL13818569 0.89 POLB (0.54) POLBSERPINA3HDAC1CCNE1CDK2

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 7 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-8088754-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-01-03 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-20090149400-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-06-11 US disclosed
WO-2007002912-A2 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 WO 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 1896/4885HDAC1 1229/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885SERPINA3 1896/4885HDAC1 1229/4885

“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.