SCHEMBL2606989

SCHEMBL2606989

CCCCOC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(OCCC)nc(N)nc21)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.39
HDAC1 Q13547 2/20 0.38
POLB P06746 3/20 0.37
BTN3A1 O00481 6/20 0.36
FGFR1 P11362 3/20 0.36
MGMT P16455 1/20 0.35
CYP2C19 P33261 1/20 0.34
NOS1 P29475 1/20 0.33
SLC29A1 Q99808 1/20 0.33
SLC22A6 Q4U2R8 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
SCHEMBL14625639 0.98 SERPINA3 (0.40) SERPINA3HDAC1POLBBTN3A1FGFR1
SCHEMBL2606867 0.94 BTN3A1 (0.42) SERPINA3HDAC1POLBBTN3A1FGFR1
SCHEMBL2607065 0.92 SERPINA3 (0.46) SERPINA3HDAC1POLBBTN3A1FGFR1
SCHEMBL2606927 0.91 POLB (0.40) SERPINA3HDAC1POLBBTN3A1FGFR1
SCHEMBL2606976 0.87 POLB (0.43) SERPINA3HDAC1POLBFGFR1CYP2C19
SCHEMBL2734813 0.87 POLB (0.55) SERPINA3HDAC1POLBFGFR1
SCHEMBL2734871 0.86 HDAC1 (0.41) SERPINA3HDAC1POLBBTN3A1FGFR1
SCHEMBL14621994 0.86 HDAC1 (0.41) SERPINA3HDAC1POLBBTN3A1FGFR1
SCHEMBL17617645 0.85 POLB (0.51) POLB
SCHEMBL17617327 0.85 POLB (0.51) POLB

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
EP-2308885-B1 Novel compounds and methods for therapy GILEAD SCIENCES INC (US) 2014-11-19 EP disclosed
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 SERPINA3 1484/4885HDAC1 380/4885POLB 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.