SCHEMBL7399218

SCHEMBL7399218

CN(CCS(=O)(=O)O)C(=O)CCCCCCC(=O)NCCCc1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
CHRM3 P20309 1/20 0.36
HDAC1 Q13547 1/20 0.32
RAB9A P51151 1/20 0.32
HTR6 P50406 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
PTGES O14684 1/20 0.30
ALDH1A1 P00352 4/20 0.30
LMNA P02545 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
MAP1LC3B Q9GZQ8 1/20 0.30
MAP1LC3A Q9H492 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
SCHEMBL7405412 0.91 ADRB2 (0.33) ADRB2CHRM3BCHEACHE
SCHEMBL7403968 0.89 ADRB2 (0.32) ADRB2CHRM3ALDH1A1
SCHEMBL7401574 0.89 ADRB2 (0.32) ADRB2CHRM3
SCHEMBL7888231 0.88 ADRB2 (0.31) ADRB2CHRM3BCHEACHE
SCHEMBL7399101 0.88 CTDSP1 (0.33) ADRB2CHRM3
SCHEMBL7399223 0.87 HDAC1 (0.33) ADRB2CHRM3HDAC1RAB9A
SCHEMBL7402044 0.83 MAP1LC3B (0.33) ADRB2CHRM3HDAC1HTR6ALDH1A1
SCHEMBL7397192 0.79 GHSR (0.34) ADRB2HDAC1HTR6PTGESALDH1A1
SCHEMBL7401181 0.78 HTR6 (0.39) ADRB2HTR6ALDH1A1HPGDGAA
SCHEMBL7399410 0.77 CTDSP1 (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 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
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

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 ADRB2 4065/4885CHRM3 2764/4885HDAC1 1084/4885

“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.