SCHEMBL7400129

SCHEMBL7400129

N#Cc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)cc(C(CC4CC4)CC4CC4)oc3=O)C3CC3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 2/20 0.40
PGAM1 P18669 1/20 0.39
HSD17B1 P14061 3/20 0.37
HSD17B2 P37059 3/20 0.37
PARP1 P09874 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
BRD4 O60885 2/20 0.35
MAPT P10636 1/20 0.35
BRPF1 P55201 3/20 0.34
BRD1 O95696 2/20 0.34
BRPF3 Q9ULD4 1/20 0.34
HSPD1 P10809 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN5 P54829 1/20 0.34
HSPE1 P61604 1/20 0.34
GPR27 Q9NS67 2/20 0.33
AVPR2 P30518 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
SCHEMBL7405143 0.90 HSD17B2 (0.39) PGAM1HSD17B1HSD17B2BRD4
SCHEMBL7450465 0.87 ATIC (0.38) ATICPGAM1HSD17B1HSD17B2PARP1
SCHEMBL6174297 0.86 PGAM1 (0.38) ATICPGAM1HSD17B1HSD17B2PARP1
SCHEMBL7437644 0.84 EEF2K (0.41) ATICPGAM1HSD17B1HSD17B2PARP1
SCHEMBL7406005 0.83 ATIC (0.35) ATICPGAM1HSD17B1HSD17B2PARP1
SCHEMBL7482086 0.83 GAA (0.35) PGAM1BRD4MAPT
Ethane SCHEMBL7482696 0.82 ATIC (0.39) ATICPGAM1HSD17B1HSD17B2PARP1
SCHEMBL7405565 0.82 LMNA (0.33)
SCHEMBL7400073 0.80
SCHEMBL7403328 0.80 HTR6 (0.34)

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 ATIC 4496/4885PGAM1 277/4885HSD17B1 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.