Sugi Predict

Sugi Predict / Compounds / SCHEMBL7401381

SCHEMBL7401381

SCHEMBL7401381

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B1 P14061 2/20 0.35
▸ HSD17B2 P37059 2/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ CCR2 P41597 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ GAA P10253 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7398506 0.93 PARP1 (0.37) PARP1KDM4EHSD17B1HSD17B2L3MBTL1
SCHEMBL7401144 0.93 PARP1 (0.37) PARP1KDM4EHSD17B1HSD17B2L3MBTL1
SCHEMBL7444384 0.89 PARP1 (0.40) PARP1KDM4EHSD17B1HSD17B2L3MBTL1
SCHEMBL7398183 0.89 KDM4E (0.35) PARP1KDM4EHSD17B1HSD17B2L3MBTL1
SCHEMBL7451608 0.89 KDM4E (0.36) PARP1KDM4EHSD17B1HSD17B2L3MBTL1
SCHEMBL7404566 0.89 TRIM24 (0.39) PARP1KDM4EHSD17B1HSD17B2L3MBTL1
SCHEMBL7444419 0.88 KDM4E (0.41) PARP1KDM4EHSD17B1HSD17B2L3MBTL1
SCHEMBL7396533 0.88 KDM4E (0.41) PARP1KDM4EHSD17B1HSD17B2L3MBTL1
SCHEMBL7400236 0.87 TRIM24 (0.39) PARP1KDM4EHSD17B1HSD17B2L3MBTL1
SCHEMBL7444379 0.86 PARP1 (0.39) PARP1KDM4EHSD17B1HSD17B2L3MBTL1

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 PARP1 1142/4885KDM4E 3676/4885HSD17B1 775/4885

“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.