SCHEMBL19983221

SCHEMBL19983221

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cccnc1)C(=O)CCl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
STING1 Q86WV6 1/20 0.48
TDP1 Q9NUW8 6/20 0.47
ATM Q13315 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 7/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 1/20 0.45
PAX8 Q06710 1/20 0.45
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL22460385 0.97 CYP3A4 (0.48) CYP3A4STING1TDP1ATMRAB9A
SCHEMBL19983238 0.89 TDP1 (0.52) CYP3A4STING1TDP1ATMRAB9A
SCHEMBL21152487 0.88 TDP1 (0.50) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL22460581 0.86 CYP3A4 (0.49) CYP3A4STING1TDP1ATMRAB9A
SCHEMBL22460574 0.86 CYP3A4 (0.49) CYP3A4STING1TDP1ATMRAB9A
SCHEMBL21153300 0.86 CYP3A4 (0.47) CYP3A4STING1TDP1ATMPAX8
SCHEMBL19983247 0.84 CTSK (0.51) CYP3A4STING1TDP1ATMNPSR1
SCHEMBL21152481 0.83 FOLH1 (0.50) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL19983324 0.83 FOLH1 (0.50) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL22460389 0.83 CYP3A4 (0.44) CYP3A4STING1TDP1ATMRAB9A

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 CYP3A4 1403/4885STING1 2940/4885TDP1 1585/4885
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CYP3A4 1403/4885STING1 2940/4885TDP1 1585/4885
US-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP CYP3A4 1403/4885STING1 2940/4885TDP1 1585/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CYP3A4 1403/4885STING1 2940/4885TDP1 1585/4885
US-11325884-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP CYP3A4 1403/4885STING1 2940/4885TDP1 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.