SCHEMBL21153300

SCHEMBL21153300

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cccnc1)C(=O)COc1c(F)cccc1F

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
PAX8 Q06710 1/20 0.44
CTSH P09668 1/20 0.44
CTSK P43235 1/20 0.44
STING1 Q86WV6 1/20 0.43

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
SCHEMBL19983247 0.93 CTSK (0.51) CYP3A4TDP1ATMCTSHCTSK
SCHEMBL25660426 0.89 CTSK (0.54) TDP1ATMPAX8CTSHCTSK
SCHEMBL19983059 0.89 CTSK (0.54) TDP1ATMPAX8CTSHCTSK
SCHEMBL19983025 0.87 CTSH (0.46) TDP1ATMPAX8CTSHCTSK
SCHEMBL21152692 0.87 CTSK (0.47) TDP1ATMPAX8CTSHCTSK
SCHEMBL19983289 0.86 FOLH1 (0.47) TDP1ATMPAX8CTSHCTSK
SCHEMBL19983221 0.86 CYP3A4 (0.50) CYP3A4TDP1ATMPAX8STING1
SCHEMBL19983037 0.85 TDP1 (0.45) TDP1ATMPAX8CTSHCTSK
SCHEMBL25658963 0.85 CTSK (0.50) CTSHCTSK
SCHEMBL19983029 0.84 TDP1 (0.43) TDP1ATMPAX8CTSHCTSK

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 5 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

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 CYP3A4 1403/4885TDP1 1585/4885ATM 3237/4885
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CYP3A4 1403/4885TDP1 1585/4885ATM 3237/4885
US-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP CYP3A4 1403/4885TDP1 1585/4885ATM 3237/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CYP3A4 1403/4885TDP1 1585/4885ATM 3237/4885
US-11325884-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP CYP3A4 1403/4885TDP1 1585/4885ATM 3237/4885

“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.