SCHEMBL13617288

SCHEMBL13617288

CC(C)C[C@H](NC(=O)OC(C)(C)C)C1CO1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CTSK P43235 3/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CTSB P07858 1/20 0.45
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
CAPN1 P07384 1/20 0.40
CYP2D6 P10635 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL6791378 1.00 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL28953786 1.00 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL3469151 1.00 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL8270799 1.00 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL13694102 1.00 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL21012512 0.86 CA1 (0.39) CA1CA2CA7CTSKCTSL
SCHEMBL11025437 0.84 CA1 (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL590056 0.84 CTSK (0.42) CA1CA2CA7CTSKCTSS
SCHEMBL3327360 0.82 CA1 (0.40) CA1CA2CA7CTSKCTSS
SCHEMBL28848464 0.81 CTSK (0.50) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324800-A1 SARS-3CL PROTEASE INHIBITORS Primmune Therapeutics, Inc. 2022-10-13 US disclosed
WO-2022212707-A1 SARS-3CL PROTEASE INHIBITORS Primmune Therapeutics, Inc. (US) 2022-10-06 WO disclosed
EP-1498421-B1 GAMMA-SECRETASE INHIBITORS MORI HIROSHI (JP) 2009-11-11 EP disclosed
US-7585938-B2 Gamma-secretase inhibitors MORI HIROSHI 2009-09-08 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-20220324800-A1 SARS-3CL PROTEASE INHIBITORS ACE, ACE2, SARS1 CA1 3971/4885CA2 2455/4885CA7 2188/4885

“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.