SCHEMBL4918769

SCHEMBL4918769

O=C(O)C1=C/C(=C(/c2ccc(O)c(C(=O)O)c2)c2ccc(O[PH](=O)O)c(C(=O)O)c2)C=CC1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C9 P02748 3/20 0.74
CYP2C9 P11712 3/20 0.74
CYP2C19 P33261 3/20 0.74
HIF1A Q16665 3/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
CYP1A2 P05177 2/20 0.74
CYP2D6 P10635 2/20 0.74
APEX1 P27695 2/20 0.74
CTH P32929 2/20 0.74
POLB P06746 2/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
KDM4E B2RXH2 2/20 0.74
ALDH1A1 P00352 2/20 0.74
HSPD1 P10809 2/20 0.74
THRB P10828 2/20 0.74
HPGD P15428 2/20 0.74
ALOX15 P16050 2/20 0.74
BRCA1 P38398 2/20 0.74
RECQL P46063 2/20 0.74

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
Aurintricarboxylic Acid SCHEMBL98495 0.86 MEN1 (1.00) C9CYP2C9CYP2C19HIF1AMEN1
Aurintricarboxylic Acid SCHEMBL29450069 0.86 MEN1 (1.00) C9CYP2C9CYP2C19HIF1AMEN1
Aurintricarboxylic Acid SCHEMBL29353681 0.86 MEN1 (1.00) C9CYP2C9CYP2C19HIF1AMEN1
Aurintricarboxylic Acid SCHEMBL29395768 0.85 MEN1 (0.97) C9CYP2C9CYP2C19HIF1AMEN1
Aurintricarboxylic Acid SCHEMBL6158321 0.85 MEN1 (0.97) C9CYP2C9CYP2C19HIF1AMEN1
Aurintricarboxylic Acid SCHEMBL4644958 0.85 MEN1 (0.97) C9CYP2C9CYP2C19HIF1AMEN1
Aurintricarboxylic Acid SCHEMBL15874321 0.85 MEN1 (0.97) C9CYP2C9CYP2C19HIF1AMEN1
Aurintricarboxylic Acid SCHEMBL30831678 0.85 MEN1 (0.97) C9CYP2C9CYP2C19HIF1AMEN1
Aurintricarboxylic Acid SCHEMBL515038 0.85 MEN1 (0.97) C9CYP2C9CYP2C19HIF1AMEN1
Aurintricarboxylic Acid SCHEMBL10791075 0.85 MEN1 (0.97) C9CYP2C9CYP2C19HIF1AMEN1

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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 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 (2 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-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE C9 4073/4885CYP2C9 3547/4885CYP2C19 3332/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE C9 4073/4885CYP2C9 3547/4885CYP2C19 3332/4885

“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.