SCHEMBL2606979

SCHEMBL2606979

COc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@@H](C)C(=O)OC(C)C)N[C@@H](C)C(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
SERPINA3 P01011 1/20 0.45
SLC22A6 Q4U2R8 2/20 0.39
FGFR1 P11362 2/20 0.39
POLA1 P09884 2/20 0.38
POLG P54098 2/20 0.38
ABCB11 O95342 1/20 0.38
FAP Q12884 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HPRT1 P00492 3/20 0.36
ADCY2 Q08462 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP2C19 P33261 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NR3C1 P04150 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
SCHEMBL2606922 0.94 POLB (0.47) POLBSERPINA3SLC22A6FGFR1POLA1
SCHEMBL2607032 0.91 SERPINA3 (0.44) POLBSERPINA3SLC22A6FGFR1POLA1
SCHEMBL2606972 0.91 POLB (0.45) POLBSERPINA3SLC22A6FGFR1POLA1
SCHEMBL2606919 0.89 POLB (0.43) POLBSERPINA3SLC22A6FGFR1POLA1
SCHEMBL13747563 0.86 SERPINA3 (0.42) POLBSERPINA3SLC22A6FGFR1HSP90AA1
SCHEMBL2606913 0.86 POLB (0.45) POLBSERPINA3SLC22A6FGFR1POLA1
SCHEMBL2606920 0.85 POLB (0.44) POLBSERPINA3SLC22A6FGFR1POLA1
SCHEMBL2607039 0.85 POLB (0.45) POLBSERPINA3SLC22A6FGFR1POLA1
SCHEMBL12339233 0.85 POLB (0.65) POLBSERPINA3SLC22A6FGFR1POLA1
SCHEMBL2734648 0.85 POLB (0.65) POLBSERPINA3SLC22A6FGFR1POLA1

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-8163718-B2 Nucleoside analogues containing phosphonate or phosphonamide groups GILEAD SCIENCES, INC. (US) 2012-04-24 US disclosed
US-8163718-B2 Nucleoside analogues containing phosphonate or phosphonamide groups GILEAD SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES, INC. (US) 2009-09-17 US disclosed
US-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES, INC. (US) 2009-09-17 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 (1 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-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY TP53, ZC3HAV1, ZFX POLB 501/4885SERPINA3 1484/4885SLC22A6 4711/4885

“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.