SCHEMBL17633868

SCHEMBL17633868

CCCCC(=O)SCCN

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.44
CES2 O00748 5/20 0.44
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
TSHR P16473 2/20 0.36
AKR1B1 P15121 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL19692564 0.93 CES2 (0.46) CES1CES2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL723380 0.83 CES1 (0.50) CES1CES2ALDH1A1TP53CA1
SCHEMBL26287322 0.83 CES1 (0.50) CES1CES2ALDH1A1TP53CA1
SCHEMBL17164988 0.83 CYP1A2 (0.43) ALDH1A1KDM4ESMN1; SMN2NOS1TSHR
SCHEMBL11553559 0.82 FAAH (0.61) TP53KDM4ECYP1A2MAPTCYP2C19
SCHEMBL14478079 0.81 CES2 (0.48) CES1CES2ALDH1A1TP53CA1
Hydrochloric Acid SCHEMBL9509927 0.81 CYP1A2 (0.46) ALDH1A1KDM4ESMN1; SMN2NOS1TSHR
SCHEMBL12457027 0.79 CES1 (0.46) CES1CES2ALDH1A1TP53CA1
SCHEMBL14166455 0.79 CES2 (0.48) CES1CES2ALDH1A1TP53KDM4E
SCHEMBL13030803 0.78

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-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

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 CES1 1761/4885CES2 1965/4885ALDH1A1 2213/4885

“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.