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SCHEMBL506000

SCHEMBL506000

CC(NC(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.60
▸ MAPT P10636 1/20 0.50
▸ CTSK P43235 3/20 0.49
▸ PTGER4 P35408 1/20 0.44
▸ PTGER2 P43116 1/20 0.44
▸ GABRB1 P18505 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ PHGDH O43175 3/20 0.43
▸ CTSS P25774 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ ACACB O00763 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PPARG P37231 3/20 0.41
▸ PPARA Q07869 3/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL505999 1.00 NR1H4 (0.60) NR1H4MAPTCTSKPTGER4PTGER2
SCHEMBL4095177 1.00 NR1H4 (0.60) NR1H4MAPTCTSKPTGER4PTGER2
SCHEMBL1269661 0.86 CTSK (0.45) NR1H4MAPTCTSKABCB1ACACB
SCHEMBL3982091 0.86 CTSK (0.45) NR1H4MAPTCTSKABCB1ACACB
SCHEMBL1725645 0.86 CTSK (0.45) NR1H4MAPTCTSKABCB1ACACB
SCHEMBL6346032 0.85 CTSK (0.62) MAPTCTSKGABRB1GABRB2CTSS
SCHEMBL12203593 0.85 CTSK (0.62) MAPTCTSKGABRB1GABRB2CTSS
SCHEMBL6346030 0.85 CTSK (0.62) MAPTCTSKGABRB1GABRB2CTSS
SCHEMBL23205455 0.84 GPR139 (0.48) CTSKCTSSABCB1ACACBKMT2A
SCHEMBL3502878 0.84 CTSK (0.48) NR1H4MAPTCTSKCTSSABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110291085-B Mutant isocitrate dehydrogenase inhibitors, compositions and methods thereof 艾科生物科技有限公司 2023-01-24 — — CN disclosed
US-20210403460-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2021-12-30 — — US disclosed
US-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof ISOCURE BIOSCIENCES INC. (US) 2021-10-19 — — US disclosed
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2020-03-05 — — US disclosed
EP-3555079-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF Isocure Biosciences Inc. (US) 2019-10-23 — — EP disclosed
WO-2018118793-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC. (US) 2018-06-28 — — WO disclosed
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 — — US disclosed
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 — — US disclosed
EP-2867207-B1 PHENOXYETHYL PIPERIDINE COMPOUNDS LILLY CO ELI (US) 2017-08-09 — — EP disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 — — US disclosed
EP-1797096-B1 PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) BAYER SCHERING PHARMA AG (DE) 2011-07-27 — — EP disclosed
US-7745446-B2 Pyrazolo[1,5-c]pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-29 — — US disclosed
EP-2195288-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS Jerini AG (DE) 2010-06-16 — — EP disclosed
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 — — US disclosed
WO-2009036996-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS JERINI AG (DE) 2009-03-26 — — WO disclosed
WO-2008017164-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK FROSST CANADA LTD. (CA) 2008-02-14 — — WO disclosed
US-20070254046-A1 Novel Pyrazolopyrimidines ALTANA PHARMA AG (DE) 2007-11-01 — — US disclosed
EP-0529858-B1 2-Piperazinone compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-15 — — EP disclosed
US-5294713-A Inhibiting cell adhesion TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-15 — — US disclosed
EP-0529858-A1 2-Piperazinone compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-03-03 — — EP 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-20210403460-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A NR1H4 3583/4885MAPT 2691/4885CTSK 4133/4885
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN BTF3, BRS3, CCNB3 NR1H4 901/4885MAPT 4553/4885CTSK 2054/4885
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 NR1H4 165/4885MAPT 4506/4885CTSK 3882/4885
US-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof IDH1, IDH2, IDH3A NR1H4 3583/4885MAPT 2691/4885CTSK 4133/4885
US-20070254046-A1 Novel Pyrazolopyrimidines MCL1, RARS2, CDK4 NR1H4 1641/4885MAPT 3832/4885CTSK 3954/4885
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A NR1H4 3583/4885MAPT 2691/4885CTSK 4133/4885

“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.