SCHEMBL2734839

SCHEMBL2734839

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
FGFR1 P11362 3/20 0.39
HDAC1 Q13547 2/20 0.38
SERPINA3 P01011 1/20 0.38
SLC22A6 Q4U2R8 2/20 0.37
POLA1 P09884 2/20 0.36
POLG P54098 2/20 0.36
ABCB11 O95342 1/20 0.36
FAP Q12884 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPRT1 P00492 3/20 0.36
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL2606977 0.89 POLB (0.44) POLBFGFR1HDAC1SERPINA3SLC22A6
SCHEMBL2606981 0.88 POLB (0.43) POLBFGFR1HDAC1SERPINA3SLC22A6
SCHEMBL2606976 0.88 POLB (0.43) POLBFGFR1HDAC1SERPINA3SLC22A6
SCHEMBL2606919 0.88 POLB (0.43) POLBFGFR1HDAC1SERPINA3SLC22A6
SCHEMBL2606852 0.87 POLB (0.42) POLBFGFR1HDAC1SERPINA3SLC22A6
SCHEMBL2734840 0.87 POLB (0.43) POLBFGFR1HDAC1SERPINA3
SCHEMBL2606930 0.86 POLB (0.42) POLBFGFR1HDAC1SERPINA3SLC22A6
SCHEMBL2606935 0.85 POLB (0.44) POLBFGFR1HDAC1SERPINA3SLC22A6
SCHEMBL2734826 0.85 POLB (0.62) POLBFGFR1HDAC1CCNE1CDK2
SCHEMBL2606978 0.84 POLB (0.46) POLBFGFR1HDAC1SERPINA3SLC22A6

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 5 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

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 82/4885FGFR1 1503/4885HDAC1 1229/4885
US-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 POLB 82/4885FGFR1 1503/4885HDAC1 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.