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Sugi Predict / Compounds / SCHEMBL7398183

SCHEMBL7398183

SCHEMBL7398183

CCC(CCOCCOC)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ SSTR5 P35346 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ TRIM24 O15164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ PIK3CG P48736 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ CCR2 P41597 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31

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
SCHEMBL7401144 0.89 PARP1 (0.37) KDM4EPARP1SSTR5HTR6TRIM24
SCHEMBL7401381 0.89 PARP1 (0.37) KDM4EPARP1SSTR5HTR6TRIM24
SCHEMBL7398506 0.89 PARP1 (0.37) KDM4EPARP1SSTR5HTR6TRIM24
SCHEMBL7401557 0.87 PARP1 (0.37) KDM4EPARP1SSTR5HTR6TRIM24
SCHEMBL7444384 0.86 PARP1 (0.40) KDM4EPARP1SSTR5TRIM24L3MBTL1
SCHEMBL7451608 0.85 KDM4E (0.36) KDM4EPARP1SSTR5HTR6TRIM24
SCHEMBL7404566 0.85 TRIM24 (0.39) KDM4EPARP1SSTR5HTR6TRIM24
SCHEMBL7444419 0.85 KDM4E (0.41) KDM4EPARP1SSTR5HTR6TRIM24
SCHEMBL7396533 0.85 KDM4E (0.41) KDM4EPARP1SSTR5HTR6TRIM24
SCHEMBL7400236 0.83 TRIM24 (0.39) KDM4EPARP1SSTR5HTR6TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246125-A1 PYRANONE COMPOUNDS USEFUL TO MODULATE OMA1 PROTEASE 712 NORTH INC. 2021-08-12 — — US claimed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 — — 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
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 — — EP 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 (1 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 KDM4E 3676/4885PARP1 1142/4885SSTR5 4880/4885

“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.