Sugi Predict

Sugi Predict / Compounds / SCHEMBL19983314

SCHEMBL19983314

SCHEMBL19983314

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1cccc(F)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 9/20 0.70
▸ CTSK P43235 5/20 0.70
▸ CTSS P25774 5/20 0.70
▸ CTSL P07711 4/20 0.70
▸ CTSH P09668 4/20 0.52
▸ CTSF Q9UBX1 2/20 0.48
▸ CTSV O60911 1/20 0.48
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL19983039 1.00 CTSB (0.70) CTSBCTSKCTSSCTSLCTSH
SCHEMBL23023455 0.99 CTSB (0.69) CTSBCTSKCTSSCTSLCTSH
SCHEMBL19983043 0.91 CTSB (0.68) CTSBCTSKCTSSCTSLCTSH
SCHEMBL21152624 0.91 CTSB (0.68) CTSBCTSKCTSSCTSLCTSH
SCHEMBL21153160 0.91 CTSB (0.67) CTSBCTSKCTSSCTSLCTSH
SCHEMBL19983202 0.87 CTSK (0.70) CTSBCTSKCTSSCTSLCTSH
SCHEMBL19983273 0.87 CTSK (0.70) CTSBCTSKCTSSCTSLCTSH
SCHEMBL19983051 0.86 CTSB (0.71) CTSBCTSKCTSSCTSLCTSH
SCHEMBL19983053 0.86 CTSB (0.71) CTSBCTSKCTSSCTSLCTSH
SCHEMBL21152638 0.86 CTSB (0.70) CTSBCTSKCTSSCTSLCTSH

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 CTSB 282/4885CTSK 379/4885CTSS 512/4885
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CTSB 282/4885CTSK 379/4885CTSS 512/4885
US-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP CTSB 282/4885CTSK 379/4885CTSS 512/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CTSB 282/4885CTSK 379/4885CTSS 512/4885
US-11325884-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP CTSB 282/4885CTSK 379/4885CTSS 512/4885

“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.