SCHEMBL5491023

SCHEMBL5491023

CC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccccc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.64
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
CTSD P07339 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
CNR1 P21554 1/20 0.43
TBXAS1 P24557 1/20 0.43
ADRA1A P35348 1/20 0.43
LAP3 P28838 4/20 0.41
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41

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
Sulfuric Acid SCHEMBL18281512 0.98 SPPL2A (0.61) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL4373559 0.85 SPPL2A (0.76) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL4911140 0.85 SPPL2A (0.76) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1051190 0.85 SPPL2A (0.74) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL9605440 0.85 SPPL2A (0.74) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL23129692 0.85 SPPL2A (0.74) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL608142 0.85 SPPL2A (0.74) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL10031792 0.85 SPPL2A (0.74) SPPL2APSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL14637729 0.84 SPPL2A (0.73) SPPL2APSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL14636197 0.84 SPPL2A (0.73) SPPL2APSEN1PSEN2APH1BNCSTN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060642-A1 Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate JANSSEN SCIENCES IRELAND UC (IE) 2007-03-15 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-20070060642-A1 Process for the preparation of (3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl (1s,2r)-3-[[(4-aminophenyl) sulfonyl] (isobutyl) amino]-1-benzyl-2-hydroxypropylcarbamate HPD, HTR3C, HAAO SPPL2A 1288/4885PSEN1 508/4885PSEN2 1208/4885

“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.