SCHEMBL611945

SCHEMBL611945

CCC(C)(C)C(=O)C(=O)N1CCCC[C@@]1(C(=O)O)[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)NCCCOC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.52
FKBP5 Q13451 6/20 0.38
FKBP4 Q02790 5/20 0.38
MLNR O43193 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
CTSD P07339 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
CNR1 P21554 1/20 0.37
TBXAS1 P24557 1/20 0.37
ADRA1A P35348 1/20 0.37
ABCB1 P08183 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
KCND3 Q9UK17 1/20 0.35
SPPL2A Q8TCT8 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
SCHEMBL611177 0.95 FKBP1A (0.50) FKBP1AFKBP5FKBP4SPPL2A
SCHEMBL10034602 0.85 FKBP1A (0.70) FKBP1AFKBP5FKBP4
SCHEMBL10034681 0.84 FKBP1A (0.69) FKBP1AFKBP5FKBP4
SCHEMBL10034622 0.81 FKBP1A (0.71) FKBP1AFKBP5FKBP4
SCHEMBL10034655 0.81 FKBP1A (0.71) FKBP1AFKBP5FKBP4
SCHEMBL611176 0.81 FKBP1A (0.68) FKBP1AFKBP5FKBP4
SCHEMBL10031771 0.81 FKBP1A (0.71) FKBP1AFKBP5FKBP4
SCHEMBL10034650 0.80 FKBP1A (0.71) FKBP1AFKBP5FKBP4
SCHEMBL611147 0.79 FKBP1A (0.53) FKBP1AFKBP5FKBP4
SCHEMBL611146 0.79 FKBP1A (0.53) FKBP1AFKBP5FKBP4

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-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 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-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP FKBP1A 1184/4885FKBP5 1835/4885FKBP4 2298/4885

“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.