SCHEMBL570192

SCHEMBL570192

N[C@@H](CCC(=O)N[C@@H](CSC(=O)C(=O)O)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.67
▸ GSTK1 Q9Y2Q3 1/20 0.67
▸ GLO1 Q04760 5/20 0.59
▸ NOD1 Q9Y239 4/20 0.41
▸ FOLH1 Q04609 2/20 0.40
▸ GRM8 O00222 1/20 0.38
▸ GRM6 O15303 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GSR P00390 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GRIK1 P39086 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ GRIA2 P42262 1/20 0.38
▸ GRIA3 P42263 1/20 0.38
▸ SLC1A3 P43003 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ GRIA4 P48058 1/20 0.38

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
SCHEMBL5332441 0.89 PTGS1 (0.68) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL5332446 0.89 PTGS1 (0.68) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL18009307 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL14236615 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL420277 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL2017370 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL19579378 0.87 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL13561367 0.87 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL138746 0.87 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL16377441 0.87 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931313-B2 Methods of treating proliferative disorders with malate or derivatives thereof BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2018-04-03 — — US claimed
US-20150056215-A1 METHODS OF TREATING PROLIFERATIVE DISORDERS WITH MALATE OR DERIVATIVES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2015-02-26 — — US claimed
WO-2013152193-A2 METHODS OF TREATING PROLIFERATIVE DISORDERS WITH MALATE OR DERIVATIVES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2013-10-10 — — WO claimed
US-20130209488-A1 METHODS AND COMPOSITIONS FOR MALIC ENZYME 2 (ME2) AS A TARGET FOR CANCER THERAPY BETH ISRAEL DEACONESS MEDICAL CENTER, INC (US) 2013-08-15 — — US claimed
WO-2012019154-A2 METHODS AND COMPOSITIONS FOR MALIC ENZYME 2 (ME2) AS A TARGET FOR CANCER THERAPY BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2012-02-09 — — WO claimed
US-9931313-B2 Methods of treating proliferative disorders with malate or derivatives thereof BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2018-04-03 — — US disclosed
US-9539323-B2 Methods and compositions for malic enzyme 2 (ME2) as a target for cancer therapy BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-01-10 — — US disclosed
US-20150056215-A1 METHODS OF TREATING PROLIFERATIVE DISORDERS WITH MALATE OR DERIVATIVES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2015-02-26 — — US disclosed
US-20130209488-A1 METHODS AND COMPOSITIONS FOR MALIC ENZYME 2 (ME2) AS A TARGET FOR CANCER THERAPY BETH ISRAEL DEACONESS MEDICAL CENTER, INC (US) 2013-08-15 — — US disclosed
WO-2012019154-A2 METHODS AND COMPOSITIONS FOR MALIC ENZYME 2 (ME2) AS A TARGET FOR CANCER THERAPY BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2012-02-09 — — WO disclosed
US-20110288052-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2011-11-24 — — US disclosed
EP-2386551-A1 Novel compounds, pharmaceutical compositions containing same, and methods of use for same Fasgen Inc. (US) 2011-11-16 — — EP disclosed
US-20100029761-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 — — US disclosed
US-7649012-B2 Compounds, pharmaceutical compositions containing same, and methods of use for same FASGEN, INC. (US) 2010-01-19 — — US disclosed
US-20090005435-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, and Methods of Use for Same FAS SECURED CREDITORS HOLDCO, LLC 2009-01-01 — — US disclosed
US-20060247302-A1 Novel compounds, pharmaceutical compositions containing same, and methods of use for same FASGEN, INC. (US) 2006-11-02 — — US disclosed
US-20060241177-A1 Novel compounds, pharmaceutical compositions containing same, and methods of use for same FAS SECURED CREDITORS HOLDCO, LLC 2006-10-26 — — US disclosed
EP-0651636-B1 CHEMOTHERAPY FOR CANCER UNIV JOHNS HOPKINS (US) 2002-10-02 — — EP disclosed
US-5759837-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS JOHN HOPKINS UNIVERSITY (US) 1998-06-02 — — US disclosed
US-5614551-A Inhibitors of fatty acid synthesis as antimicrobial agents THE JOHNS HOPKINS UNIVERSITY (US) 1997-03-25 — — US 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 (6 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-20150056215-A1 METHODS OF TREATING PROLIFERATIVE DISORDERS WITH MALATE OR DERIVATIVES THEREOF MDH2, MDH1, ME1 PTGS1 1096/4885GSTK1 1486/4885GLO1 457/4885
US-20060241177-A1 Novel compounds, pharmaceutical compositions containing same, and methods of use for same CPT1B, CPT1A, CRAT PTGS1 1152/4885GSTK1 3472/4885GLO1 1139/4885
US-20060247302-A1 Novel compounds, pharmaceutical compositions containing same, and methods of use for same CPT1B, HCRTR2, CPT1A PTGS1 554/4885GSTK1 3753/4885GLO1 3487/4885
US-20110288052-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME C1S, C1R, MC2R PTGS1 1476/4885GSTK1 4317/4885GLO1 3275/4885
US-20100029761-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME NR1H4, CYP3A4, CYP4A11 PTGS1 2839/4885GSTK1 4502/4885GLO1 4755/4885
US-20090005435-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, and Methods of Use for Same C1R, CNR1, CYP3A5 PTGS1 1201/4885GSTK1 4760/4885GLO1 3948/4885

“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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