SCHEMBL8337366

SCHEMBL8337366

COC(=O)C1CC(C)(C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
IMPDH2 P12268 3/20 0.39
HDAC8 Q9BY41 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
EPHX2 P34913 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
PEPD P12955 1/20 0.34
CCR2 P41597 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
PDE4B Q07343 1/20 0.33
MAPK1 P28482 1/20 0.33
FKBP1A P62942 1/20 0.33

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
SCHEMBL883144 1.00 PTPN1 (0.40) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL30987635 1.00 PTPN1 (0.40) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL1780336 0.91 HDAC8 (0.37) IMPDH2HDAC8NR1H2EPHX2HSD17B10
SCHEMBL16342374 0.91 HDAC8 (0.37) IMPDH2HDAC8NR1H2EPHX2HSD17B10
SCHEMBL20248275 0.87 PTPN1 (0.40) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL15776671 0.87 PTPN1 (0.40) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL15776670 0.87 PTPN1 (0.40) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL8255174 0.85 NR1H2 (0.42) PTPN1IMPDH2NR1H2NR1H3EPHX2
SCHEMBL29074075 0.85 PTPN1 (0.40) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL2905427 0.84 HSD17B10 (0.42) HDAC8EPHX2HSD17B10CHRM2CHRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133560-A1 IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS MLLT1 AND MLLT3 INHIBITORS DARK BLUE THERAPEUTICS LTD (GB) 2024-06-27 WO disclosed
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 US disclosed
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 US disclosed
US-20220340595-A1 MACROCYCLIC INDOLES AS MCL-1 INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-10-27 US disclosed
WO-2004026866-A1 N-AROYL CYCLIC AMINES AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-01 WO 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 (2 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-20220340595-A1 MACROCYCLIC INDOLES AS MCL-1 INHIBITORS MCL1, BCL2A1, BCL2L1 PTPN1 2400/4885IMPDH2 1690/4885HDAC8 2033/4885
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors MCL1, BCL2A1, BCL2L1 PTPN1 2400/4885IMPDH2 1690/4885HDAC8 2033/4885

“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.