SCHEMBL19983029

SCHEMBL19983029

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cccnc1Br)C(=O)COc1c(F)cccc1F

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
CTSK P43235 2/20 0.43
ATM Q13315 1/20 0.43
PAX8 Q06710 1/20 0.43
CTSH P09668 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL19983037 0.92 TDP1 (0.45) TDP1CTSKATMPAX8CTSH
SCHEMBL19983226 0.87 TDP1 (0.48) TDP1ATMPAX8NPSR1MEN1
SCHEMBL25658939 0.85 CTSK (0.49) CTSKCTSH
SCHEMBL19983072 0.84 TDP1 (0.53) TDP1ATMPAX8NPSR1MEN1
SCHEMBL21153300 0.84 CYP3A4 (0.47) TDP1CTSKATMPAX8CTSH
SCHEMBL19972813 0.84 CTSK (0.60) CTSKCTSH
SCHEMBL19972815 0.84 CTSK (0.60) CTSKCTSH
SCHEMBL21152692 0.83 CTSK (0.47) TDP1CTSKATMPAX8CTSH
SCHEMBL19983289 0.82 FOLH1 (0.47) TDP1CTSKATMPAX8CTSH
SCHEMBL19983004 0.82 SUCNR1 (0.49) TDP1CTSKATMPAX8CTSH

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-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 US disclosed
WO-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 WO 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-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP TDP1 1585/4885CTSK 379/4885ATM 3237/4885

“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.