SCHEMBL5354817

SCHEMBL5354817

CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCC1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.61
CTSK P43235 6/20 0.47
CTSS P25774 5/20 0.47
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
EPHX1 P07099 1/20 0.41
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
IDO1 P14902 1/20 0.39
CYP2D6 P10635 1/20 0.39
ACE P12821 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL14017648 0.99 CACNA1B (0.61) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL18460226 0.99 CACNA1B (0.61) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL29400846 0.99 CACNA1B (0.61) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL7109105 0.99 CACNA1B (0.61) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL5351823 0.88 CACNA1B (0.67) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL5354120 0.87 CACNA1B (0.69) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL5345653 0.87 CACNA1B (0.55) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL19296747 0.86 CACNA1B (0.51) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL6842295 0.86 CACNA1B (0.51) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL20524880 0.86 CACNA1B (0.51) CACNA1BCTSKCTSSHDAC4HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CACNA1B 1/4885CTSK 3691/4885CTSS 1885/4885

“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.