SCHEMBL7397192

SCHEMBL7397192

O=C(NCCCc1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1)NC(CO)(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.32
MAP1LC3A Q9H492 1/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
EPHX2 P34913 2/20 0.32
HDAC1 Q13547 1/20 0.32
HTR6 P50406 3/20 0.32
TGFBR1 P36897 1/20 0.32
PTGES O14684 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
FABP4 P15090 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL7405904 0.90 LMNA (0.32)
SCHEMBL7403232 0.88 MMP2 (0.31)
SCHEMBL7402150 0.88
SCHEMBL7407727 0.87 CBLB (0.33) SLC5A1SLC5A2
SCHEMBL7404877 0.87 KDM4E (0.35) HTR6SLC5A1SLC5A2
SCHEMBL7397200 0.85 MAP1LC3B (0.34) MAP1LC3BMAP1LC3AHTR6TGFBR1PTGES
SCHEMBL7401181 0.84 HTR6 (0.39) ALDH1A1HPGDMAP1LC3BMAP1LC3AADRB2
SCHEMBL7402044 0.84 MAP1LC3B (0.33) GHSRALDH1A1HPGDMAP1LC3BMAP1LC3A
SCHEMBL7399223 0.80 HDAC1 (0.33) ADRB2EPHX2HDAC1
SCHEMBL7397205 0.80 CA1 (0.35) MAP1LC3BMAP1LC3AHTR6TGFBR1PTGES

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 5 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
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-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 GHSR 4695/4885ALDH1A1 476/4885HPGD 351/4885

“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.