SCHEMBL2606933

SCHEMBL2606933

CCCCOC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cnc2c(OCCC)nc(N)nc21)N[C@@H](Cc1ccccc1)C(=O)OCCCC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.49
HDAC1 Q13547 2/20 0.42
ADCY2 Q08462 1/20 0.41
POLB P06746 3/20 0.39
MGMT P16455 1/20 0.39
HPRT1 P00492 1/20 0.36
FGFR1 P11362 3/20 0.36
TMIGD3 P0DMS9 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CYP2C19 P33261 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC29A1 Q99808 1/20 0.34
CTSL P07711 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
SCHEMBL2607075 0.94 SERPINA3 (0.49) SERPINA3HDAC1ADCY2POLBMGMT
SCHEMBL2606931 0.94 SERPINA3 (0.50) SERPINA3HDAC1ADCY2POLBMGMT
SCHEMBL2606986 0.93 SERPINA3 (0.51) SERPINA3HDAC1ADCY2POLBMGMT
SCHEMBL2607250 0.90 SERPINA3 (0.45) SERPINA3HDAC1ADCY2POLBMGMT
SCHEMBL2606973 0.87 SERPINA3 (0.51) SERPINA3HDAC1ADCY2POLBMGMT
SCHEMBL2734833 0.87 POLB (0.56) SERPINA3HDAC1ADCY2POLBFGFR1
SCHEMBL2734868 0.87 SERPINA3 (0.46) SERPINA3HDAC1ADCY2POLBHPRT1
SCHEMBL14621983 0.87 SERPINA3 (0.46) SERPINA3HDAC1ADCY2POLBHPRT1
SCHEMBL2606976 0.86 POLB (0.43) SERPINA3HDAC1POLBHPRT1FGFR1
SCHEMBL14621774 0.85 SERPINA3 (0.45) SERPINA3HDAC1ADCY2POLBHPRT1

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
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
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 1484/4885HDAC1 380/4885ADCY2 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.