SCHEMBL8225005

SCHEMBL8225005

CC(C)CN(CC(N)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.87

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.87
ABCB11 O95342 1/20 0.87
LMNA P02545 1/20 0.87
CTSD P07339 1/20 0.87
CYP3A4 P08684 1/20 0.87
CYP3A5 P20815 1/20 0.87
CNR1 P21554 1/20 0.87
TBXAS1 P24557 1/20 0.87
ADRA1A P35348 1/20 0.87
ABCB1 P08183 1/20 0.63
KCNE1 P15382 1/20 0.63
KCNQ1 P51787 1/20 0.63
KCNH2 Q12809 1/20 0.63
SCN5A Q14524 1/20 0.63
KCND3 Q9UK17 1/20 0.63

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
SCHEMBL13567479 1.00 MLNR (0.87) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL14263372 0.94 MLNR (0.76) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL13567472 0.94 MLNR (0.76) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL13567461 0.93 MLNR (0.75) MLNRABCB11LMNACTSDCYP3A4
Amprenavir SCHEMBL2671137 0.93 MLNR (1.00) MLNRABCB11LMNACTSDCYP3A4
Amprenavir SCHEMBL20451345 0.93 MLNR (1.00) MLNRABCB11LMNACTSDCYP3A4
Amprenavir SCHEMBL3174937 0.93 MLNR (1.00) MLNRABCB11LMNACTSDCYP3A4
Amprenavir SCHEMBL34151 0.93 MLNR (1.00) MLNRABCB11LMNACTSDCYP3A4
Amprenavir SCHEMBL1388821 0.93 MLNR (1.00) MLNRABCB11LMNACTSDCYP3A4
Amprenavir SCHEMBL10276771 0.93 MLNR (1.00) MLNRABCB11LMNACTSDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS GILEAD SCIENCES, INC. 2009-12-17 US disclosed
US-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS GILEAD SCIENCES, INC. 2009-12-17 US disclosed
US-20080070910-A1 Therapeutic compounds and methods GILEAD SCIENCES, INC. 2008-03-20 US disclosed
WO-2008013834-A1 BISFURANYL PROTEASE INHIBITORS GILEAD SCIENCES, INC., (US) 2008-01-31 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 (2 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-20090312318-A1 THERAPEUTIC COMPOUNDS AND METHODS SERPINB1, ABCC1, SERPINB6 MLNR 1554/4885ABCB11 282/4885LMNA 741/4885
US-20080070910-A1 Therapeutic compounds and methods SERPINB1, ABCC1, SERPINB6 MLNR 1554/4885ABCB11 282/4885LMNA 741/4885

“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.