SCHEMBL4340879

SCHEMBL4340879

CC(C)CN(Cc1cc(CC2COC(C)(C)N2C(=O)O)ccc1O)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.39
MLNR O43193 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CTSD P07339 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
CNR1 P21554 1/20 0.38
TBXAS1 P24557 1/20 0.38
ADRA1A P35348 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.36
ABCB1 P08183 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
KCND3 Q9UK17 1/20 0.36
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
STAT3 P40763 2/20 0.34

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
SCHEMBL6539634 0.76 MAPT (0.38) CYP3A4ABCB1
SCHEMBL6539645 0.76 MAPT (0.38) CYP3A4ABCB1
SCHEMBL7364192 0.73 HIF1A (0.42) RORCTAS2R14HIF1AEPAS1
SCHEMBL4339792 0.71 TAS2R14 (0.38) RORCMLNRABCB11LMNACTSD
SCHEMBL6541442 0.68 CAPN1 (0.38) CYP3A4ADRA1AABCB1
SCHEMBL6541438 0.68 CAPN1 (0.38) CYP3A4ADRA1AABCB1
SCHEMBL6541124 0.68 NAMPT (0.42) ABCB1
SCHEMBL6541119 0.68 NAMPT (0.42) ABCB1
SCHEMBL17103825 0.68 PPARA (0.34) KCNH2
SCHEMBL17103824 0.68 PPARA (0.34) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 RORC 4688/4885MLNR 4166/4885ABCB11 1940/4885

“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.