SCHEMBL3619600

SCHEMBL3619600

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSS P25774 5/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL88462 0.80 CTSK (0.41) CTSKMEN1GAAKMT2ACTSS
SCHEMBL3624040 0.79 CTSK (0.34) CTSKMEN1GAAKMT2ACTSS
SCHEMBL8981186 0.77 CTSK (0.43) CTSKMEN1GAAKMT2ACTSS
SCHEMBL2463123 0.77 CTSK (0.35) CTSKMEN1GAAKMT2ACTSS
SCHEMBL5147739 0.76 CTSK (0.39) CTSKMEN1GAAKMT2ACTSS
SCHEMBL646732 0.75 CTSK (0.35) CTSKMEN1GAAKMT2ACTSS
SCHEMBL7864105 0.75 CTSS (0.38) CTSKMEN1GAAKMT2ACTSS
SCHEMBL5147615 0.74 AKT1 (0.38) CTSKMEN1GAAKMT2ACTSS
SCHEMBL5408412 0.74 CTSK (0.41) CTSKMEN1GAAKMT2ACTSS
SCHEMBL8981149 0.72 CTSK (0.43) CTSKMEN1GAAKMT2ACTSS

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-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 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-20100093811-A1 HIV PROTEASE INHIBITORS PRSS1, FURIN, SERPINB1 CTSK 41/4885MEN1 2771/4885GAA 207/4885

“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.