SCHEMBL3360989

SCHEMBL3360989

O=Cc1ccccc1-c1cc(Br)ccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.47
ERN1 O75460 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
TRIM24 O15164 2/20 0.39
TRIM33 Q9UPN9 2/20 0.39
S100A4 P26447 1/20 0.39
TSHR P16473 1/20 0.39
PTPN1 P18031 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
XDH P47989 1/20 0.36

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
SCHEMBL16050103 0.89 PTPRC (0.48) PTPRCERN1TDP1MEN1LMNA
SCHEMBL16050088 0.89 ERN1 (0.44) PTPRCERN1TDP1MEN1LMNA
SCHEMBL28725376 0.85 PTPRC (0.46) PTPRCERN1TDP1MEN1KMT2A
SCHEMBL3589058 0.85 PTPRC (0.42) PTPRCERN1TDP1MEN1LMNA
SCHEMBL16050105 0.85 ERN1 (0.44) PTPRCERN1TDP1MEN1LMNA
SCHEMBL16555178 0.82 AKR1C3 (0.46) PTPRCERN1TDP1MEN1LMNA
SCHEMBL7870138 0.82 PTPRC (0.42) PTPRCERN1TDP1MEN1LMNA
SCHEMBL3062652 0.80 TRIM24 (0.48) ERN1TDP1MEN1LMNATHRB
SCHEMBL249552 0.80 KMT2A (0.71) ERN1TDP1MEN1LMNATHRB
SCHEMBL31175932 0.80 KMT2A (0.71) ERN1TDP1MEN1LMNATHRB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 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 (3 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP PTPRC 1681/4885ERN1 276/4885TDP1 554/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS PTPRC 2200/4885ERN1 726/4885TDP1 1526/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 PTPRC 1776/4885ERN1 317/4885TDP1 607/4885

“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.