Sugi Predict

Sugi Predict / Compounds / SCHEMBL2606931

SCHEMBL2606931

SCHEMBL2606931

CCCOc1nc(N)nc2c1ncn2CCOCP(=O)(N[C@@H](Cc1ccccc1)C(=O)OCC)N[C@@H](Cc1ccccc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA3 P01011 1/20 0.50
▸ HPRT1 P00492 1/20 0.42
▸ ADCY2 Q08462 1/20 0.42
▸ POLB P06746 4/20 0.40
▸ HDAC1 Q13547 3/20 0.39
▸ MGMT P16455 1/20 0.39
▸ TMIGD3 P0DMS9 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC22A6 Q4U2R8 2/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ POLA1 P09884 2/20 0.34
▸ POLG P54098 2/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ FAP Q12884 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
SCHEMBL2606933 0.94 SERPINA3 (0.49) SERPINA3HPRT1ADCY2POLBHDAC1
SCHEMBL2606986 0.94 SERPINA3 (0.51) SERPINA3HPRT1ADCY2POLBHDAC1
SCHEMBL2606973 0.93 SERPINA3 (0.51) SERPINA3HPRT1ADCY2POLBHDAC1
SCHEMBL2607029 0.91 SERPINA3 (0.47) SERPINA3HPRT1ADCY2POLBHDAC1
SCHEMBL2606916 0.89 SERPINA3 (0.47) SERPINA3HPRT1ADCY2POLBHDAC1
SCHEMBL13746646 0.88 SERPINA3 (0.46) SERPINA3HPRT1HDAC1MGMTTMIGD3
SCHEMBL2607075 0.88 SERPINA3 (0.49) SERPINA3HPRT1ADCY2POLBHDAC1
SCHEMBL2734834 0.86 POLB (0.58) SERPINA3HPRT1ADCY2POLBHDAC1
SCHEMBL2734869 0.86 SERPINA3 (0.48) SERPINA3HPRT1ADCY2POLBHDAC1
SCHEMBL14621490 0.86 SERPINA3 (0.48) SERPINA3HPRT1ADCY2POLBHDAC1

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 6 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
WO-2009105513-A2 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES, INC. (US) 2009-08-27 — — WO 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 1484/4885HPRT1 1413/4885ADCY2 3553/4885

“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.