SCHEMBL19983072

SCHEMBL19983072

COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cccnc1Br

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.53
ATM Q13315 2/20 0.53
NPSR1 Q6W5P4 10/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
POLB P06746 4/20 0.52
MAPT P10636 7/20 0.51
ALDH1A1 P00352 1/20 0.50
PAX8 Q06710 1/20 0.50
KDM4E B2RXH2 4/20 0.49

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
SCHEMBL19983226 0.90 TDP1 (0.48) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL19982954 0.89 TDP1 (0.53) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL19983029 0.84 TDP1 (0.43) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL25658934 0.82 KMT2A (0.54) KMT2A
SCHEMBL19983238 0.80 TDP1 (0.52) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL21153191 0.79 TDP1 (0.51) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL26601477 0.79 NPSR1 (0.49) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL19983280 0.78 TDP1 (0.48) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL22460581 0.77 CYP3A4 (0.49) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL22460574 0.77 CYP3A4 (0.49) TDP1ATMNPSR1KMT2AMEN1

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 1585/4885ATM 3237/4885NPSR1 4201/4885

“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.