SCHEMBL19983005

SCHEMBL19983005

COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cccc(OCCCF)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.48
ATM Q13315 2/20 0.48
NPSR1 Q6W5P4 8/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 4/20 0.47
ALDH1A1 P00352 1/20 0.46
PAX8 Q06710 1/20 0.46
SUCNR1 Q9BXA5 4/20 0.45

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
SCHEMBL19983071 0.96 TDP1 (0.48) TDP1ATMNPSR1MAPTKDM4E
SCHEMBL19983283 0.90 SUCNR1 (0.43) TDP1ATMNPSR1MAPTKDM4E
SCHEMBL25660280 0.90 TDP1 (0.47) TDP1ATMNPSR1MAPTKDM4E
SCHEMBL19983070 0.87 SUCNR1 (0.43) TDP1ATMNPSR1MAPTKDM4E
SCHEMBL19982961 0.87 CTSK (0.44) TDP1PAX8SUCNR1
SCHEMBL19983227 0.85 TDP1 (0.50) TDP1ATMNPSR1MAPTKDM4E
SCHEMBL25658920 0.84 SMPD1 (0.55) MEN1KMT2A
SCHEMBL19983003 0.83 CTSK (0.44) TDP1PAX8SUCNR1
SCHEMBL19983279 0.81 CA1 (0.56) TDP1ATMNPSR1MAPTKDM4E
SCHEMBL19983306 0.80 TDP1 (0.46) TDP1ATMNPSR1MAPTKDM4E

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 6 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-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.