SCHEMBL7403117

SCHEMBL7403117

CCC(Cc1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccc4ccccc4n3)c2)C2CC2)c(=O)o1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
PGR P06401 1/20 0.33
CTSD P07339 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
PGA5 P0DJD9 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CTSE P14091 1/20 0.33
GABRA1 P14867 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 1/20 0.33
HTR2A P28223 1/20 0.33
AGTR1 P30556 1/20 0.33
CCKAR P32238 1/20 0.33
ADRA1A P35348 1/20 0.33
PTGS2 P35354 1/20 0.33
PPARG P37231 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
SCHEMBL7403120 0.89 SLC6A3 (0.35) HTR6MLNRNR1I2ABCB11PGR
SCHEMBL7403523 0.89 MLNR (0.31) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL7395312 0.87 MLNR (0.35) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL8806219 0.87 HTR6 (0.35) HTR6MLNRNR1I2ABCB11PGR
SCHEMBL7402588 0.86 MMP2 (0.34)
SCHEMBL7401353 0.86 MMP2 (0.34)
SCHEMBL7403423 0.86 PTPN1 (0.35)
SCHEMBL7405781 0.85 MLNR (0.35) MLNRNR1I2ABCB11PGRCTSD
SCHEMBL7444379 0.85 PARP1 (0.39) HTR6MLNRNR1I2ABCB11PGR
SCHEMBL7395277 0.84 HTR6 (0.35) HTR6MLNRNR1I2ABCB11PGR

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 6 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
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 HTR6 3769/4885MLNR 4622/4885NR1I2 2201/4885

“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.