SCHEMBL5597644

SCHEMBL5597644

CCCC(SC(C)N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC1A2 P43004 3/20 0.44
SLC1A1 P43005 3/20 0.44
SLC1A3 P43003 2/20 0.44
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
ALDH1A1 P00352 1/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37

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
SCHEMBL19812464 0.86 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6242256 0.84 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7758718 0.82 SLC1A3 (0.40) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL6517896 0.77
SCHEMBL8419049 0.77 TDP1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15751022 0.77 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6889610 0.76 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6889603 0.76 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2554935 0.75
SCHEMBL28716471 0.75

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-20230338310-A1 ANTI-VIRAL THERAPY NOVABIOTICS LIMITED (GB) 2023-10-26 US disclosed
EP-4157247-A1 ANTI-VIRAL THERAPY Novabiotics Limited (GB) 2023-04-05 EP disclosed
WO-2021240145-A1 ANTI-VIRAL THERAPY NOVABIOTICS LIMITED (GB) 2021-12-02 WO disclosed
EP-3197476-A1 USE OF CYSTEAMINE IN TREATING INFECTIONS CAUSED BY YEASTS/MOULDS Novabiotics Limited (GB) 2017-08-02 EP disclosed
WO-2016046524-A1 USE OF CYSTEAMINE IN TREATING INFECTIONS CAUSED BY YEASTS/MOULDS NOVABIOTICS LIMITED (GB) 2016-03-31 WO disclosed
EP-1406660-B1 COMBINATION OF AN ALDOSTERONE RECEPTOR ANTAGONIST AND AN HMG COA REDUCTASE INHIBITOR PHARMACIA CORP (US) 2007-06-06 EP 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-20230338310-A1 ANTI-VIRAL THERAPY MAVS, HAVCR2, IRF3 CHRM1 4829/4885AKR1A1 2014/4885CHRM3 4718/4885

“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.