Sugi Predict

Sugi Predict / Compounds / SCHEMBL19983045

SCHEMBL19983045

SCHEMBL19983045

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 9/20 0.70
▸ CTSS P25774 5/20 0.58
▸ CTSK P43235 5/20 0.56
▸ CTSH P09668 4/20 0.56
▸ CTSL P07711 4/20 0.51
▸ CTSF Q9UBX1 2/20 0.51
▸ CTSV O60911 1/20 0.49
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ CXCR3 P49682 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ KLK5 Q9Y337 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
SCHEMBL19983062 0.99 CTSB (0.69) CTSBCTSSCTSKCTSHCTSL
SCHEMBL19983035 0.93 CTSB (0.71) CTSBCTSSCTSKCTSHCTSL
SCHEMBL23023357 0.92 CTSB (0.70) CTSBCTSSCTSKCTSHCTSL
SCHEMBL19983053 0.91 CTSB (0.71) CTSBCTSSCTSKCTSHCTSL
SCHEMBL19983051 0.91 CTSB (0.71) CTSBCTSSCTSKCTSHCTSL
SCHEMBL21152638 0.91 CTSB (0.70) CTSBCTSSCTSKCTSHCTSL
SCHEMBL19983273 0.90 CTSK (0.70) CTSBCTSSCTSKCTSHCTSL
SCHEMBL19983202 0.90 CTSK (0.70) CTSBCTSSCTSKCTSHCTSL
SCHEMBL19983063 0.86 CTSB (0.71) CTSBCTSSCTSKCTSHCTSL
SCHEMBL19983299 0.86 CTSB (0.70) CTSBCTSSCTSKCTSHCTSL

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

“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.