SCHEMBL19983334

SCHEMBL19983334

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1ccccn1)C(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 7/20 0.51
MAPT P10636 5/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 1/20 0.50
PAX8 Q06710 1/20 0.50
POLB P06746 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CTSK P43235 1/20 0.48
SUCNR1 Q9BXA5 3/20 0.48

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
SCHEMBL19983122 0.86 CTSK (0.71) TDP1ATMNPSR1MAPTKMT2A
SCHEMBL19983232 0.85 SUCNR1 (0.50) TDP1ATMNPSR1MAPTKMT2A
SCHEMBL19983280 0.84 TDP1 (0.48) TDP1ATMNPSR1MAPTKMT2A
SCHEMBL19983226 0.84 TDP1 (0.48) TDP1ATMNPSR1MAPTKMT2A
SCHEMBL21152487 0.83 TDP1 (0.50) TDP1ATMNPSR1MAPTKMT2A
SCHEMBL10040335 0.82 ALDH1A1 (0.52) TDP1NPSR1MAPTKMT2AMEN1
SCHEMBL19983221 0.82 CYP3A4 (0.50) TDP1ATMNPSR1MAPTKMT2A
SCHEMBL21152483 0.82 TDP1 (0.44) TDP1ATMNPSR1MAPTKMT2A
SCHEMBL21152634 0.81 FOLH1 (0.51) TDP1ATMNPSR1MAPTKMT2A
SCHEMBL19983324 0.79 FOLH1 (0.50) TDP1ATMNPSR1MAPTKMT2A

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 7 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
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 US disclosed
US-11325884-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2022-05-10 US disclosed
US-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2021-02-25 US disclosed
US-10730826-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2020-08-04 US disclosed
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2019-07-11 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 (5 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-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP TDP1 1585/4885ATM 3237/4885NPSR1 4201/4885
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP TDP1 1585/4885ATM 3237/4885NPSR1 4201/4885
US-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP TDP1 1585/4885ATM 3237/4885NPSR1 4201/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP TDP1 1585/4885ATM 3237/4885NPSR1 4201/4885
US-11325884-B2 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.