SCHEMBL5495127

SCHEMBL5495127

CC(C)(CC(=O)O)CC(=O)NC1(C(=O)NCCCCNc2ncccn2)Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PROC P04070 5/20 0.38
F2 P00734 2/20 0.38
MMP8 P22894 1/20 0.35
HPGD P15428 1/20 0.35
MPI P34949 1/20 0.34
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGB5 P18084 1/20 0.33

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
SCHEMBL5492981 0.81 GAA (0.48) PROCF2HPGD
SCHEMBL5493635 0.80 GAA (0.49) PROCF2HPGD
SCHEMBL5495671 0.76 MEN1 (0.41) PROCF2HPGD
SCHEMBL5504726 0.76 MEN1 (0.41) PROCF2HPGD
SCHEMBL14598344 0.74 PROC (0.35) PROCF2
SCHEMBL14598341 0.74 HPGD (0.41) MMP8HPGD
SCHEMBL5495822 0.72 KDM4A (0.41) HPGDRETKDRITGB3ITGAV
SCHEMBL5495143 0.72 DRD3 (0.38) HPGDITGB3ITGAVITGA2BITGB5
SCHEMBL5496533 0.72 IL23R (0.40) PROCF2HPGD
SCHEMBL5495303 0.71 CHRNB2 (0.50)

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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 PROC 569/4885F2 3991/4885MMP8 1824/4885

“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.