SCHEMBL7384339

SCHEMBL7384339

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCN

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.68
CTSK P43235 6/20 0.68
CTSB P07858 2/20 0.68
CTSL P07711 2/20 0.68
AKT1 P31749 1/20 0.66
CHRNA1 P02708 2/20 0.59
CHRNG P07510 2/20 0.59
CHRNB1 P11230 2/20 0.59
CHRND Q07001 2/20 0.59
PTPN1 P18031 3/20 0.58
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
PTPRA P18433 1/20 0.57

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
SCHEMBL14598323 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2442760 0.94 CTSS (0.76) CTSSCTSKCTSBCTSLAKT1
SCHEMBL19456504 0.94 CHRNB2 (0.68) CTSSCTSKCTSBCTSLAKT1
SCHEMBL12085683 0.94 CHRNB2 (0.68) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2404125 0.93 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2442224 0.93 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2444606 0.93 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2447627 0.93 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2406342 0.93 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2405030 0.93 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1

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 3 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
EP-0753003-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-01-15 EP disclosed
WO-1995028416-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO 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 CTSS 3400/4885CTSK 2528/4885CTSB 2109/4885

“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.