SCHEMBL3260744

SCHEMBL3260744

CCOC(=O)NCC=CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.48
▸ GAA P10253 3/20 0.37
▸ MGAM O43451 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GABRR3 A8MPY1 1/20 0.35
▸ GABRR1 P24046 1/20 0.35
▸ GABRR2 P28476 1/20 0.35
▸ BLM P54132 1/20 0.35

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
SCHEMBL2338040 0.80 GAA (0.39) GAAMGAMSIMGAM2RAB9A
SCHEMBL28815661 0.80 GAA (0.39) GAAMGAMSIMGAM2RAB9A
SCHEMBL12003317 0.78 GLA (0.39) GAAMGAMSIMGAM2RAB9A
SCHEMBL19944332 0.78 L3MBTL1 (0.32) HCAR2GAAMGAMSIMGAM2
SCHEMBL11601388 0.76 GLA (0.41) GAAMGAMSIMGAM2RAB9A
Acrylic Acid SCHEMBL30356562 0.76 ALDH1A1 (0.43) HCAR2GAAMGAMSIMGAM2
SCHEMBL10323476 0.76 MEN1 (0.45) GAAMEN1KMT2A
SCHEMBL10323475 0.76 MEN1 (0.45) GAAMEN1KMT2A
Acrylic Acid SCHEMBL2476698 0.76 ALDH1A1 (0.43) HCAR2GAAMGAMSIMGAM2
SCHEMBL9772247 0.76 GAA (0.36) GAAMGAMSIMGAM2L3MBTL1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906629-B2 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2011-03-15 — — US disclosed
US-7649085-B2 Saquinavir conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-01-19 — — US disclosed
EP-1809672-B1 ATAZANAVIR CONJUGATES AND ANTIBIBODIES USEFUL IN IMMUNOSSAY ROCHE DIAGNOSTICS GMBH (DE) 2009-09-09 — — EP disclosed
US-7569678-B2 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-08-04 — — US disclosed
US-7482437-B2 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-01-27 — — US disclosed
US-20080021201-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SIGLER GERALD F 2008-01-24 — — US disclosed
EP-1809672-A1 ATAZANAVIR CONJUGATES AND ANTIBIBODIES USEFUL IN IMMUNOSSAY Roche Diagniostics GMBH (DE) 2007-07-25 — — EP disclosed
US-20070155959-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SIGLER GERALD F 2007-07-05 — — US disclosed
US-20070149565-A1 Nelfinavir conjugates and antibodies useful in immunoassay SIGLER GERALD F 2007-06-28 — — US disclosed
US-20070148708-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SIGLER GERALD F 2007-06-28 — — US disclosed
US-7157561-B2 Methods of inhibiting transmission of a costimulatory signal of lymphocytes ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-01-02 — — US disclosed
US-20060264618-A1 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY DERAS INA 2006-11-23 — — US disclosed
US-20060211107-A1 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY SIGLER GERALD F 2006-09-21 — — US disclosed
WO-2006048300-A1 ATAZANAVIR CONJUGATES AND ANTIBIBODIES USEFUL IN IMMUNOSSAY ROCHE DIAGNIOSTICS GMBH (DE) 2006-05-11 — — WO disclosed
EP-1519192-A2 HIV Protease inhibitor conjugates and antibodies useful in ummunoassay Roche Diagnostics GmbH (DE) 2005-03-30 — — EP disclosed
US-20050064517-A1 Atazanavir conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2005-03-24 — — US disclosed
US-20040127689-A1 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2004-07-01 — — US disclosed
EP-1409546-A2 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY Roche Diagnostics GmbH (DE) 2004-04-21 — — EP disclosed
US-20030100088-A1 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2003-05-29 — — US disclosed
WO-2003006506-A2 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2003-01-23 — — 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 (9 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-20060264618-A1 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY SERPINB1, DNPEP, SPINT2 HCAR2 2622/4885GAA 251/4885MGAM 687/4885
US-20030100088-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SERPINB1, HPN, SPR HCAR2 1643/4885GAA 287/4885MGAM 1008/4885
US-20050064517-A1 Atazanavir conjugates and antibodies useful in immunoassay DNPEP, DNTT, ADA HCAR2 887/4885GAA 89/4885MGAM 1444/4885
US-20040127689-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SERPINB1, HPN, DNPEP HCAR2 1595/4885GAA 207/4885MGAM 1142/4885
US-20060211107-A1 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY SERPINB1, HPN, SPR HCAR2 1004/4885GAA 394/4885MGAM 1104/4885
US-20080021201-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SERPINB1, HPN, SPR HCAR2 1013/4885GAA 394/4885MGAM 1103/4885
US-20070148708-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SPR, HPN, SAMHD1 HCAR2 826/4885GAA 367/4885MGAM 1358/4885
US-20070155959-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SERPINB1, HPN, SPR HCAR2 1004/4885GAA 394/4885MGAM 1104/4885
US-20070149565-A1 Nelfinavir conjugates and antibodies useful in immunoassay SAMHD1, SPR, CYP3A4 HCAR2 673/4885GAA 682/4885MGAM 1362/4885

“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.

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