SCHEMBL7857628

SCHEMBL7857628

CC(=O)C(CC1CCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.61
CTSS P25774 5/20 0.61
AAK1 Q2M2I8 2/20 0.47
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 1/20 0.41
CACNA1B Q00975 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
BTK Q06187 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL27978270 1.00 CTSK (0.61) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL7355314 0.95 CTSK (0.67) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL14272583 0.88 CTSK (0.58) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL24298421 0.88 CTSK (0.64) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL952036 0.88 CTSK (0.64) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL952034 0.88 CTSK (0.64) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL29414317 0.87 CTSK (0.60) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL5025954 0.85 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL9106410 0.85 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL6799683 0.85 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1

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-7595419-B2 Process and intermediates for the preparation of 3-(amino)-3-cyclobutylmethyl-2-hydroxy-propionamide or salts thereof SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same SCHERING CORPORATION 2007-10-11 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-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same CTRL, PEPD, PRCP CTSK 103/4885CTSS 116/4885AAK1 2795/4885

“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.