SCHEMBL5487722

SCHEMBL5487722

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.51
CTSS P25774 4/20 0.49
CTSK P43235 3/20 0.49
CTSB P07858 2/20 0.49
CTSL P07711 2/20 0.49
AKT1 P31749 1/20 0.49
ACE P12821 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47

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
SCHEMBL5487718 1.00 PTPN1 (0.51) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL14598333 0.88 CTSS (0.57) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL5487724 0.82 CHRNB2 (0.46) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL14598318 0.81 CTSS (0.43) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL24133372 0.81 CTSS (0.48) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL8107796 0.81 CTSS (0.67) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL16909161 0.81 CTSS (0.67) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL16909159 0.81 CTSS (0.67) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL8107395 0.81 CTSS (0.67) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL16909174 0.81 CTSS (0.69) PTPN1CTSSCTSKCTSBCTSL

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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 US disclosed
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 PTPN1 4278/4885CTSS 3400/4885CTSK 2528/4885

“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.