SCHEMBL5795897

SCHEMBL5795897

CC(C)(C)OC(=O)ONC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
ELANE P08246 1/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
BTK Q06187 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
GRM6 O15303 1/20 0.30

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
SCHEMBL18345387 0.85 DGAT1 (0.39) DGAT1ELANEGAAHDAC6HDAC1
SCHEMBL1609396 0.83 CA12 (0.41) DGAT1ELANEMEN1GAAKMT2A
SCHEMBL16653875 0.83 DGAT1 (0.38) DGAT1ELANEHDAC6HDAC1HDAC2
SCHEMBL28763660 0.81 DGAT1 (0.41) DGAT1ELANEMEN1GAAKMT2A
Hydrochloric Acid SCHEMBL9176523 0.81 CA1 (0.40) DGAT1ELANEMEN1GAAKMT2A
SCHEMBL8588817 0.80 ELANE (0.39) DGAT1ELANEGAAHDAC6HDAC1
SCHEMBL9410014 0.79 DGAT1 (0.42) DGAT1ELANEMEN1GAAKMT2A
Hydrogen Peroxide SCHEMBL28079587 0.78 DGAT1 (0.43) DGAT1ELANEMEN1GAAKMT2A
SCHEMBL18345454 0.78 DGAT1 (0.34) DGAT1ELANEHDAC6HDAC1HDAC2
SCHEMBL14212529 0.77 DGAT1 (0.41) DGAT1ELANEMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-07-04 US disclosed
CN-115197098-B Cell necrosis inhibitor 北京生命科学研究所 2023-08-08 CN disclosed
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
CN-113272272-B RIP1 inhibitors 圣瑞诺有限公司 2023-04-07 CN disclosed
CN-115197098-A Cell necrosis inhibitor 北京生命科学研究所 2022-10-18 CN disclosed
CN-107108467-B Cell necrosis inhibitor 北京生命科学研究所 2022-08-19 CN disclosed
CN-108368101-B Selective NR2B antagonists 百时美施贵宝公司 2022-03-15 CN disclosed
EP-3883918-A1 RIP1 INHIBITORS Sironax Ltd (KY) 2021-09-29 EP disclosed
US-20210284598-A1 RIP1 Inhibitors SIRONAX LTD (KY) 2021-09-16 US disclosed
CN-113272272-A RIP1 inhibitors 圣瑞诺有限公司 2021-08-17 CN disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 US disclosed
US-8987504-B2 Aminohydroxylation of alkenes VICTORIA LINK LIMITED (NZ) 2015-03-24 US disclosed
US-20130274479-A1 AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2013-10-17 US disclosed
WO-2011159177-A1 IMPROVED AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2011-12-22 WO disclosed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
EP-1615699-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
WO-2004092124-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
EP-0759919-A1 NEW AZOLIDINEDIONES AS ANTIHYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-03-05 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 (4 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-20130274479-A1 AMINOHYDROXYLATION OF ALKENES ALKBH3, ALKBH1, ALKBH2 DGAT1 1122/4885ELANE 2478/4885MEN1 3894/4885
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 DGAT1 3833/4885ELANE 425/4885MEN1 3991/4885
US-20210284598-A1 RIP1 Inhibitors RIPK1, RIPK3, RIPK4 DGAT1 1255/4885ELANE 2250/4885MEN1 1669/4885
US-20240217963-A1 RECEPTOR-INTERACTING PROTEIN 1 INHIBITORS, PREPARATIONS, AND USES THEREOF RIPK1, RIPK2, RIPK4 DGAT1 2350/4885ELANE 3355/4885MEN1 4205/4885

“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.