SCHEMBL796349

SCHEMBL796349

CC(C)(C)OC(=O)/N=N\C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL77789 1.00 DGAT1 (0.40) DGAT1ALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL77788 1.00 DGAT1 (0.40) DGAT1ALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL1542636 0.89 DGAT1 (0.34) DGAT1ALDH1A1HPGD
SCHEMBL260377 0.89 DGAT1 (0.34) DGAT1ALDH1A1HPGD
SCHEMBL904794 0.89 DGAT1 (0.34) DGAT1ALDH1A1HPGD
SCHEMBL15843648 0.89 DGAT1 (0.44) DGAT1ALDH1A1HPGDTDP1CA1
SCHEMBL20278337 0.89 DGAT1 (0.34) DGAT1ALDH1A1HPGD
SCHEMBL15843647 0.89 DGAT1 (0.44) DGAT1ALDH1A1HPGDTDP1CA1
SCHEMBL19023277 0.87 DGAT1 (0.33) DGAT1
SCHEMBL19028120 0.87 DGAT1 (0.33) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078133-A1 RAS INHIBITORS Revolution Medicines, Inc. 2026-03-19 US disclosed
EP-4694980-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS INHIBITORS OF NLRP3 Takeda Pharmaceutical Company Limited (JP) 2026-02-18 EP disclosed
US-12251387-B2 Substituted quinoxalines and benzo[c][1,2,5]oxadiazoles as DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-03-18 US disclosed
EP-3740479-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-11-20 EP disclosed
US-12121524-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 US disclosed
WO-2024214046-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS INHIBITORS OF NLRP3 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-17 WO disclosed
US-20240245658-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2024-07-25 US disclosed
CN-111741955-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-02-23 CN disclosed
EP-4319738-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2024-02-14 EP disclosed
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-07 US disclosed
WO-2010116176-A1 PYRAZOLO [4, 5-E] PYRIMIDINE DERIVATIVE AND ITS USE TO TREAT DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 WO disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-7598422-B2 Production of chirally pure amino alcohol intermediates, derivatives thereof, and uses thereof WYETH (US) 2009-10-06 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-7405280-B2 Chromogenic substances and use thereof for the determination of carboxypeptidase activities DIAGNOSTICA STAGO (FR) 2008-07-29 US disclosed
US-7405280-B2 Chromogenic substances and use thereof for the determination of carboxypeptidase activities DIAGNOSTICA STAGO (FR) 2008-07-29 US disclosed
US-20070249869-A1 Production of chirally pure amino alcohol intermediates, derivatives thereof, and uses thereof WYETH (US) 2007-10-25 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 (10 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-20090069294-A1 Organic Compounds XIAP, BAX, MCL1 DGAT1 2387/4885ALDH1A1 1673/4885HPGD 2185/4885
US-20230277547-A1 SUBSTITUTED QUINOXALINE DNA-PK INHIBITORS DTYMK, POLK, TOP1 DGAT1 4169/4885ALDH1A1 2519/4885HPGD 484/4885
US-20260078133-A1 RAS INHIBITORS KRAS, NRAS, HRAS DGAT1 2503/4885ALDH1A1 3635/4885HPGD 4265/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 DGAT1 4103/4885ALDH1A1 2119/4885HPGD 2834/4885
US-20240245658-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TAAR1, TAAR5, NPY1R DGAT1 4528/4885ALDH1A1 1200/4885HPGD 2608/4885
US-12121524-B2 DNA-PK inhibitors POLK, DTYMK, DCK DGAT1 4221/4885ALDH1A1 3073/4885HPGD 1083/4885
US-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 DGAT1 931/4885ALDH1A1 1918/4885HPGD 694/4885
US-12251387-B2 Substituted quinoxalines and benzo[c][1,2,5]oxadiazoles as DNA-PK inhibitors TOP1, TOP2A, TOP2B DGAT1 4761/4885ALDH1A1 1023/4885HPGD 558/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 DGAT1 2685/4885ALDH1A1 1604/4885HPGD 2979/4885
US-20070249869-A1 Production of chirally pure amino alcohol intermediates, derivatives thereof, and uses thereof ADH1C, ADH1A, ACMSD DGAT1 656/4885ALDH1A1 51/4885HPGD 1986/4885

“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.