SCHEMBL3361609

SCHEMBL3361609

COc1cc(S)cc(OC)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AMY1A P0DUB6 2/20 0.39
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
PRKDC P78527 1/20 0.35
CA1 P00915 1/20 0.35
CA6 P23280 1/20 0.35
CYP3A4 P08684 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
ERN1 O75460 1/20 0.34
NSD2 O96028 1/20 0.34
CASP6 P55212 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
SCHEMBL28771987 0.78 ERN1 (0.47) MAPTNPSR1POLBL3MBTL1AMY1A
SCHEMBL12258796 0.76 ACHE (0.59) MAPTNPSR1POLBL3MBTL1AMY1A
SCHEMBL1337937 0.76 ACHE (0.59) MAPTL3MBTL1PTGS2CYP3A4ALDH1A1
SCHEMBL13535556 0.76 RXFP1 (0.41) MAPTPOLBCA2CA4CA1
SCHEMBL1203850 0.76 ALDH1A1 (0.53) MAPTNPSR1POLBL3MBTL1AMY1A
SCHEMBL8427827 0.75 MAPT (0.47) MAPTNPSR1POLBL3MBTL1ALOX5
SCHEMBL4615262 0.74 PTGS2 (0.64) MAPTNPSR1POLBL3MBTL1ALOX5
Ammonia Solution, Strong SCHEMBL28003625 0.74 ACHE (0.56) MAPTL3MBTL1PTGS2CYP3A4ALDH1A1
SCHEMBL2388340 0.74 MAPT (0.46) MAPTNPSR1POLBL3MBTL1AMY1A
SCHEMBL8599528 0.74 MAPT (0.46) MAPTNPSR1POLBL3MBTL1CYP3A4

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 13 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-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
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
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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 MAPT 1039/4885NPSR1 4080/4885POLB 454/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS MAPT 3202/4885NPSR1 4001/4885POLB 861/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 MAPT 1076/4885NPSR1 4160/4885POLB 446/4885

“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.