Sugi Predict

Sugi Predict / Compounds / SCHEMBL2734846

SCHEMBL2734846

SCHEMBL2734846

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.44
▸ HDAC1 Q13547 6/20 0.43
▸ FGFR1 P11362 3/20 0.37
▸ SERPINA3 P01011 1/20 0.36
▸ SLC22A6 Q4U2R8 2/20 0.36
▸ POLA1 P09884 2/20 0.36
▸ POLG P54098 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ FAP Q12884 1/20 0.36
▸ HDAC2 Q92769 4/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SRC P12931 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC10 Q969S8 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
SCHEMBL2734860 0.88 POLB (0.44) POLBHDAC1FGFR1SERPINA3SLC22A6
SCHEMBL14621500 0.88 POLB (0.44) POLBHDAC1FGFR1SERPINA3SLC22A6
SCHEMBL2734840 0.87 POLB (0.43) POLBHDAC1FGFR1SERPINA3HDAC2
SCHEMBL2606977 0.86 POLB (0.44) POLBHDAC1FGFR1SERPINA3SLC22A6
SCHEMBL2734885 0.86 POLB (0.48) POLBHDAC1FGFR1SERPINA3SLC22A6
SCHEMBL2734826 0.85 POLB (0.62) POLBHDAC1FGFR1
SCHEMBL2606976 0.85 POLB (0.43) POLBHDAC1FGFR1SERPINA3SLC22A6
SCHEMBL2606919 0.85 POLB (0.43) POLBHDAC1FGFR1SERPINA3SLC22A6
SCHEMBL2606981 0.85 POLB (0.43) POLBHDAC1FGFR1SERPINA3SLC22A6
SCHEMBL2734861 0.85 POLB (0.45) POLBHDAC1FGFR1SERPINA3HDAC2

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

“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.