SCHEMBL5487724

SCHEMBL5487724

CC(C)(C)OC(=O)N=C(N)N(CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
PTPN1 P18031 3/20 0.44
GRIA1 P42261 1/20 0.42
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
AKT1 P31749 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRND Q07001 1/20 0.41
REN P00797 1/20 0.41

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
SCHEMBL5487722 0.82 PTPN1 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL5487718 0.82 PTPN1 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL14598333 0.81 CTSS (0.57) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL5493873 0.75 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL5487472 0.75 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL14598337 0.74 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL5494865 0.74 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL2905983 0.74 HDAC1 (0.33)
SCHEMBL16909159 0.74 CTSS (0.67) PTPN1CTSSCTSLCTSBCTSK
SCHEMBL8107796 0.74 CTSS (0.67) PTPN1CTSSCTSLCTSBCTSK

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 CHRNB2 3208/4885CHRNB4 3005/4885CHRNA3 3504/4885

“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.