SCHEMBL7405243

SCHEMBL7405243

Cn1cnc(S(=O)(=O)Nc2cccc(C(c3c(O)cc(CCC(N)C(=O)[C@@H](N)CCC(=O)O)oc3=O)C3CC3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PIK3CG P48736 1/20 0.32
SLC6A9 P48067 1/20 0.31
SSTR5 P35346 1/20 0.31
CBLB Q13191 3/20 0.31
LMNA P02545 1/20 0.31
TRIM24 O15164 1/20 0.31
HTR6 P50406 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PAX8 Q06710 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
SCHEMBL7404761 0.88 CTSK (0.31) ADRA1ALMNA
SCHEMBL7407584 0.88 CBLB (0.34) CBLB
SCHEMBL7404889 0.87 HSD17B1 (0.36) PARP1KDM4EHSD17B1HSD17B2CTDSP1
SCHEMBL7405241 0.87 KDM4E (0.34) PARP1KDM4EHSD17B1HSD17B2CTDSP1
SCHEMBL7402163 0.87 PARP1 (0.36) PARP1KDM4EHSD17B1HSD17B2CTDSP1
SCHEMBL7402046 0.86 MAP1LC3B (0.34) LMNAHTR6KMT2A
SCHEMBL7399521 0.84
SCHEMBL7888204 0.82 CBLB (0.34) CBLB
SCHEMBL7444379 0.82 PARP1 (0.39) PARP1KDM4EHSD17B1HSD17B2L3MBTL1
SCHEMBL8808278 0.81 PARP1 (0.37) PARP1KDM4EHSD17B1HSD17B2CTDSP1

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.