SCHEMBL7401181

SCHEMBL7401181

O=C(NCCCc1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.39
TPSAB1 Q15661 1/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
TGFBR1 P36897 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.33
MAP1LC3A Q9H492 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
ASAH1 Q13510 2/20 0.33
HPGD P15428 1/20 0.32
EGFR P00533 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL7405573 0.90 CBLB (0.33)
SCHEMBL7403245 0.88
SCHEMBL7404305 0.88 CBLB (0.32)
SCHEMBL7401224 0.87 CBLB (0.36)
SCHEMBL7402158 0.87 KDM4E (0.37) HTR6ALDH1A1GAATSHR
SCHEMBL7401187 0.87 HTR6 (0.38) HTR6TGFBR1MAP1LC3BMAP1LC3AALDH1A1
SCHEMBL7397192 0.84 GHSR (0.34) HTR6ADRB2ADRB1ADRB3TGFBR1
SCHEMBL7402044 0.82 MAP1LC3B (0.33) HTR6ADRB2MAP1LC3BMAP1LC3AALDH1A1
SCHEMBL7401189 0.81 HTR6 (0.40) HTR6TGFBR1MAP1LC3BMAP1LC3AALDH1A1
SCHEMBL7399223 0.79 HDAC1 (0.33) ADRB2

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
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

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 3769/4885TPSAB1 335/4885ADRB2 4065/4885

“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.