SCHEMBL2607065

SCHEMBL2607065

CCCOc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.46
BTN3A1 O00481 8/20 0.42
POLB P06746 3/20 0.38
HDAC1 Q13547 1/20 0.35
MGMT P16455 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC22A6 Q4U2R8 2/20 0.34
FGFR1 P11362 1/20 0.34
ABCB11 O95342 1/20 0.33
POLA1 P09884 1/20 0.33
POLG P54098 1/20 0.33
FAP Q12884 1/20 0.33
ADCY2 Q08462 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
SCHEMBL2606867 0.93 BTN3A1 (0.42) SERPINA3BTN3A1POLBHDAC1MGMT
SCHEMBL12339260 0.92 SERPINA3 (0.48) SERPINA3BTN3A1POLBHDAC1MGMT
SCHEMBL2606989 0.92 SERPINA3 (0.39) SERPINA3BTN3A1POLBHDAC1MGMT
SCHEMBL14625639 0.91 SERPINA3 (0.40) SERPINA3BTN3A1POLBHDAC1MGMT
SCHEMBL12339247 0.87 SERPINA3 (0.48) SERPINA3BTN3A1POLBSLC22A6FGFR1
SCHEMBL2607032 0.87 SERPINA3 (0.44) SERPINA3POLBHDAC1MGMTCYP2C19
SCHEMBL2607029 0.85 SERPINA3 (0.47) SERPINA3BTN3A1POLBHDAC1MGMT
SCHEMBL12339226 0.85 POLB (0.57) SERPINA3BTN3A1POLBHDAC1ADCY2
SCHEMBL12339261 0.84 SERPINA3 (0.44) SERPINA3BTN3A1POLBHDAC1ADCY2
SCHEMBL12339253 0.84 POLB (0.53) SERPINA3POLBPOLA1POLG

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-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
EP-2308885-A2 Novel compounds and methods for therapy Gilead Sciences, Inc. (US) 2011-04-13 EP 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 SERPINA3 1484/4885BTN3A1 2724/4885POLB 501/4885

“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.