SCHEMBL12434851

SCHEMBL12434851

CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2ncsc2c1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.51
CYP3A4 P08684 3/20 0.49
CTSD P07339 2/20 0.46
CTSE P14091 1/20 0.46
PGC P20142 1/20 0.46
MLNR O43193 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A5 P20815 1/20 0.44
CNR1 P21554 1/20 0.44
TBXAS1 P24557 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL8248846 1.00 SPPL2A (0.51) SPPL2ACYP3A4CTSDCTSEPGC
SCHEMBL12435857 1.00 SPPL2A (0.51) SPPL2ACYP3A4CTSDCTSEPGC
SCHEMBL13480554 0.94 SPPL2A (0.55) SPPL2ACYP3A4CTSDMLNRABCB11
SCHEMBL12435841 0.93 CTSD (0.45) SPPL2ACYP3A4CTSDCTSEPGC
SCHEMBL12434864 0.93 CTSD (0.45) SPPL2ACYP3A4CTSDCTSEPGC
SCHEMBL8245621 0.93 CTSD (0.45) SPPL2ACYP3A4CTSDCTSEPGC
SCHEMBL12434835 0.91 SPPL2A (0.53) SPPL2ACYP3A4CTSDMLNRABCB11
SCHEMBL8238981 0.91 SPPL2A (0.53) SPPL2ACYP3A4CTSDMLNRABCB11
SCHEMBL12435818 0.91 CTSD (0.44) SPPL2ACYP3A4CTSDCTSEPGC
SCHEMBL8245611 0.91 CTSD (0.44) SPPL2ACYP3A4CTSDCTSEPGC

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-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 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-20110178092-A1 HIV-1 Protease Inhibitors SERPINB1, PRSS1, TMPRSS4 SPPL2A 348/4885CYP3A4 1247/4885CTSD 59/4885

“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.