SCHEMBL7400677

SCHEMBL7400677

COCCOCCOCCOc1ccc2c(O)c(C(c3cccc(NS(=O)(=O)c4cn(C)cn4)c3)C3CC3)c(=O)oc2c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PIK3CG P48736 7/20 0.34
PARP1 P09874 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
TRIM24 O15164 1/20 0.34
SSTR5 P35346 1/20 0.34
SLC6A9 P48067 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 2/20 0.33
HTR6 P50406 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
SCHEMBL7403259 0.91 MEN1 (0.41) PIK3CGHSD17B1HSD17B2MEN1GAA
SCHEMBL7403592 0.89 NQO1 (0.36) ROCK2KDM4EMEN1KMT2AACHE
SCHEMBL7405503 0.84 FABP1 (0.44) MEN1GAAKMT2A
SCHEMBL7401557 0.83 PARP1 (0.37) KDM4EPIK3CGPARP1HSD17B1HSD17B2
SCHEMBL7398183 0.81 KDM4E (0.35) KDM4EPIK3CGPARP1HSD17B1HSD17B2
SCHEMBL7400115 0.79 ACHE (0.40) ACHE
SCHEMBL7400973 0.78 MAOB (0.40) ACHE
SCHEMBL7353787 0.77 PARP1 (0.46) KDM4EPARP1HSD17B1HSD17B2TRIM24
SCHEMBL7405458 0.77 SIGMAR1 (0.36) ACHE
SCHEMBL7826006 0.76 PARP1 (0.42) KDM4EPARP1HSD17B1HSD17B2TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993590-B2 Pyranone compounds useful to modulate OMA1 protease 712 NORTH INC. (US) 2024-05-28 US claimed
US-20210246125-A1 PYRANONE COMPOUNDS USEFUL TO MODULATE OMA1 PROTEASE 712 NORTH INC. 2021-08-12 US claimed
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 EP claimed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO claimed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 US disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 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-20210246125-A1 PYRANONE COMPOUNDS USEFUL TO MODULATE OMA1 PROTEASE OPA1, OLA1, PITRM1 ROCK2 2929/4885KDM4E 3676/4885PIK3CG 3256/4885
US-11993590-B2 Pyranone compounds useful to modulate OMA1 protease OPA1, OLA1, PITRM1 ROCK2 2929/4885KDM4E 3676/4885PIK3CG 3256/4885

“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.