SCHEMBL6977978

SCHEMBL6977978

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.49
CTSS P25774 9/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 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
SCHEMBL12635071 1.00 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL12635077 1.00 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL12635079 0.86 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL12635082 0.86 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL6968497 0.86 CA1 (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL6971472 0.86 CA1 (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL24046184 0.84 CA1 (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL26129040 0.84 CA1 (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL26129038 0.84 CA1 (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL5450014 0.84 CTSK (0.50) CTSKCTSSCA1CA2CA7

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
EP-1157019-B1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 HOFFMANN LA ROCHE (CH) 2003-03-19 EP claimed
US-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same OCERA THERAPEUTICS, INC. 2011-05-05 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-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same GHSR, GHRHR, GIPR CTSK 4252/4885CTSS 2800/4885CA1 4864/4885

“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.