SCHEMBL13347448

SCHEMBL13347448

CC(=O)[C@H](O)[C@H](CC1CCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSS P25774 2/20 0.48
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
REN P00797 8/20 0.41
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
KMT2A Q03164 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
BTK Q06187 1/20 0.37

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
SCHEMBL13347447 1.00 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL7850121 1.00 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL10407741 0.96 CTSS (0.53) CTSKCTSSCA1CA2CA7
SCHEMBL12161411 0.89 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL2809379 0.89 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL8208799 0.88 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL13592480 0.88 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL13592481 0.88 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL7860628 0.88 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL7860632 0.88 CTSK (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113821-A1 PREPARATION OF 3-AMINO-3-(CYCLOBUTYLMETHYL)-2-(HYDROXY)-PROPIONAMIDE HYDROCHLORIDE SCHERING-PLOUGH CORPORATION (US) 2010-05-06 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-20100113821-A1 PREPARATION OF 3-AMINO-3-(CYCLOBUTYLMETHYL)-2-(HYDROXY)-PROPIONAMIDE HYDROCHLORIDE CTRL, DNPEP, DPP3 CTSK 319/4885CTSS 42/4885CA1 2755/4885

“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.