SCHEMBL3362269

SCHEMBL3362269

COc1cc(CO)cc(OC)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP19A1 P11511 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
EP300 Q09472 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CA2 P00918 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40

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
SCHEMBL13909008 0.82 TSHR (0.44) ALDH1A1TSHRALOX15HSD17B10PDE4A
SCHEMBL5982004 0.81 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPTNPSR1
SCHEMBL3361466 0.79 HTR2A (0.48) ALDH1A1TSHRALOX15HSD17B10PDE4A
SCHEMBL3394143 0.79 MEN1 (0.46) TSHRALOX15HSD17B10PDE4APDE4B
SCHEMBL27685436 0.79 PTGS2 (0.64) ALDH1A1MAPTNPSR1CYP19A1TAAR1
SCHEMBL1122521 0.79 PTGS2 (0.64) TSHRALOX15HSD17B10PDE4APDE4B
SCHEMBL1067240 0.79 TNKS2 (0.55) TSHRALOX15HSD17B10PDE4APDE4B
SCHEMBL1121604 0.78 MAPT (0.42) ALDH1A1TSHRHSD17B10MAPTMAPK1
SCHEMBL918659 0.77 HSD17B10 (0.51) ALDH1A1TSHRALOX15HSD17B10PDE4A
SCHEMBL2300116 0.77 TSHR (0.47) ALDH1A1TSHRALOX15HSD17B10PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1840201-A Polyethylene glycol prodrug of gambogicacid, its preparation method, formulation and use UNIV CHINA PHARMA (CN) 2006-10-04 CN claimed
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
CN-100531801-C Polyethylene glycol prodrug of gambogicacid, its preparation method, formulation and use for preparing drug UNIV CHINA PHARMA (CN) 2009-08-26 CN 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
CN-1840201-A Polyethylene glycol prodrug of gambogicacid, its preparation method, formulation and use UNIV CHINA PHARMA (CN) 2006-10-04 CN 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 ALDH1A1 3361/4885TSHR 4770/4885ALOX15 3380/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS ALDH1A1 3232/4885TSHR 4748/4885ALOX15 1373/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ALDH1A1 3337/4885TSHR 4782/4885ALOX15 3167/4885

“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.