SCHEMBL4976326

SCHEMBL4976326

COC(=O)CC(=O)C(=[N+]=[N-])C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
TET2 Q6N021 1/20 0.38
TSHR P16473 4/20 0.37
HSD17B10 Q99714 1/20 0.34
HSP90AB1 P08238 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL23391871 0.83 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19677667 0.83 EGLN1 (0.38) TSHRALDH1A1
SCHEMBL28746307 0.81 ALDH1A1 (0.31) TET2ALDH1A1
SCHEMBL2471546 0.79 ALDH1A1 (0.39) TET2TSHRALDH1A1
SCHEMBL15120652 0.79 CES2 (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL26885023 0.78 CES2 (0.42) TSHRALDH1A1
SCHEMBL25635527 0.76 CA2 (0.35) ALDH1A1
SCHEMBL18560606 0.76 MGAM (0.37) MGAMGAASIMGAM2TET2
SCHEMBL17964096 0.76 GAA (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL9036175 0.76 GAA (0.50) MGAMGAASIMGAM2TET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365667-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2025-07-22 US disclosed
WO-2025078335-A1 PROCESSES FOR THE PREPARATION OF DEUCRAVACITINIB FARMHISPANIA GROUP, S.L. (ES) 2025-04-17 WO disclosed
EP-4538259-A1 PROCESSES FOR THE PREPARATION OF DEUCRAVACITINIB Farmhispania Group, S.L. (ES) 2025-04-16 EP disclosed
US-20240002364-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 US disclosed
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors ALUMIS INC. (US) 2023-08-22 US disclosed
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 US disclosed
US-11021462-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
EP-3713930-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS Bristol-Myers Squibb Company (US) 2020-09-30 EP disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
CN-1657523-A Cyclic compounds TANABE SEIYAKU CO (JP) 2005-08-24 CN disclosed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 US disclosed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 US disclosed
CN-1440393-A cyclic compound TANABE SEIYAKU CO (JP) 2003-09-03 CN disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 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 (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-11021462-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 MGAM 3181/4885GAA 4444/4885SI 2916/4885
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 MGAM 3181/4885GAA 4444/4885SI 2916/4885
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS SYK, BTK, IRAK2 MGAM 3343/4885GAA 2403/4885SI 4272/4885
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 MGAM 3181/4885GAA 4444/4885SI 2916/4885
US-20240002364-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 MGAM 3181/4885GAA 4444/4885SI 2916/4885
US-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A MGAM 3625/4885GAA 698/4885SI 1650/4885
US-12365667-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 MGAM 3181/4885GAA 4444/4885SI 2916/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A MGAM 3883/4885GAA 844/4885SI 2016/4885
US-11731956-B2 Substituted 1,2,4-triazoles as intermediates in the synthesis of TYK2 inhibitors TYK2, JAK1, JAK3 MGAM 4005/4885GAA 4020/4885SI 4737/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B MGAM 4228/4885GAA 1933/4885SI 2937/4885

“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.