SCHEMBL7400178

SCHEMBL7400178

CCC(CC1CCOCC1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccccc3O)c2)C2CC2)c(=O)o1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.32
PTPN1 P18031 3/20 0.31
PTPN5 P54829 3/20 0.31
HSPD1 P10809 2/20 0.31
HSPE1 P61604 2/20 0.31
PTPN2 P17706 2/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
PIK3C2G O75747 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 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
SCHEMBL7397958 0.88 MLNR (0.32) KCNK3
SCHEMBL7438915 0.88 GRM4 (0.30)
SCHEMBL7403425 0.87 PTPN1 (0.34) KCNK3PTPN1PTPN5HSPD1HSPE1
SCHEMBL7395277 0.86 HTR6 (0.35)
SCHEMBL7398223 0.86 MLNR (0.32) PIK3C2GPIK3CAPIK3CG
SCHEMBL7404517 0.86
SCHEMBL7404566 0.86 TRIM24 (0.39) PIK3CG
SCHEMBL7405946 0.85 MMP2 (0.32)
SCHEMBL7405439 0.85 PIK3C2G (0.30) PIK3C2GPIK3CAPIK3CG
SCHEMBL7405226 0.85 CBLB (0.33)

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-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
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 KCNK3 899/4885PTPN1 3182/4885PTPN5 4187/4885

“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.