SCHEMBL12339243

SCHEMBL12339243

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
SERPINA3 P01011 1/20 0.47
ADCY2 Q08462 1/20 0.39
ABCB1 P08183 5/20 0.38
CCNE1 P24864 5/20 0.38
CDK2 P24941 5/20 0.38
PDGFRA P16234 4/20 0.38
HDAC1 Q13547 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CDK1 P06493 1/20 0.37
NR1I2 O75469 1/20 0.37
ALB P02768 1/20 0.37
PDE4D Q08499 1/20 0.37
YTHDC1 Q96MU7 1/20 0.37
CCNE2 O96020 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35

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
SCHEMBL2759923 0.94 POLB (0.62) POLBSERPINA3ADCY2ABCB1CCNE1
SCHEMBL2734834 0.92 POLB (0.58) POLBSERPINA3ADCY2ABCB1CCNE1
SCHEMBL2734822 0.91 POLB (0.56) POLBSERPINA3ADCY2ABCB1CCNE1
Gs-9191 SCHEMBL2734675 0.91 POLB (0.57) POLBSERPINA3ADCY2ABCB1CCNE1
Gs-9191 SCHEMBL2734836 0.91 POLB (0.57) POLBSERPINA3ADCY2ABCB1CCNE1
SCHEMBL2734833 0.90 POLB (0.56) POLBSERPINA3ADCY2ABCB1CCNE1
SCHEMBL2734884 0.89 POLB (0.57) POLBSERPINA3ADCY2ABCB1CCNE1
SCHEMBL13818569 0.88 POLB (0.54) POLBSERPINA3ADCY2ABCB1CCNE1
SCHEMBL13210484 0.86 POLB (0.52) POLBSERPINA3ADCY2ABCB1CCNE1
SCHEMBL2734676 0.86 POLB (0.52) POLBSERPINA3ADCY2ABCB1CCNE1

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 4 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-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

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 1896/4885ADCY2 3304/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885SERPINA3 1896/4885ADCY2 3304/4885

“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.