SCHEMBL19983311

SCHEMBL19983311

CC(=O)Nc1cccc(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)COc2c(F)cccc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
TDP1 Q9NUW8 3/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CTSK P43235 2/20 0.43
CTSH P09668 1/20 0.43
SIRT5 Q9NXA8 1/20 0.42
PAX8 Q06710 1/20 0.41

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
SCHEMBL21153177 0.91 TDP1 (0.46) CA1CA2TDP1MAPTNPSR1
SCHEMBL19983025 0.89 CTSH (0.46) TDP1MAPTNPSR1KDM4ECTSK
SCHEMBL19983308 0.87 CA1 (0.56) CA1CA2TDP1MAPTNPSR1
SCHEMBL21152692 0.85 CTSK (0.47) TDP1MAPTNPSR1CTSKCTSH
SCHEMBL25658902 0.85 CTSK (0.48) CTSKCTSH
SCHEMBL19983211 0.85 CTSK (0.58) CTSKCTSH
SCHEMBL30716871 0.85 CTSK (0.58) CTSKCTSH
SCHEMBL19982990 0.85 CTSK (0.58) CTSKCTSH
SCHEMBL25658892 0.85 CTSK (0.58) CTSKCTSH
SCHEMBL19983289 0.85 FOLH1 (0.47) TDP1MAPTNPSR1KDM4ECTSK

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 CA1 262/4885CA2 893/4885TDP1 1585/4885
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CA1 262/4885CA2 893/4885TDP1 1585/4885
US-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP CA1 262/4885CA2 893/4885TDP1 1585/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CA1 262/4885CA2 893/4885TDP1 1585/4885
US-11325884-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP CA1 262/4885CA2 893/4885TDP1 1585/4885

“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.