SCHEMBL19983238

SCHEMBL19983238

COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.52
ATM Q13315 2/20 0.52
CYP3A4 P08684 1/20 0.51
NPSR1 Q6W5P4 9/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 4/20 0.51
MAPT P10636 6/20 0.50
ALDH1A1 P00352 1/20 0.49
PAX8 Q06710 1/20 0.49
STING1 Q86WV6 1/20 0.49
KDM4E B2RXH2 3/20 0.49
RAB9A P51151 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL22460581 0.97 CYP3A4 (0.49) TDP1ATMCYP3A4NPSR1MEN1
SCHEMBL22460574 0.97 CYP3A4 (0.49) TDP1ATMCYP3A4NPSR1MEN1
SCHEMBL10331448 0.93 KMT2A (0.47) TDP1ATMCYP3A4MEN1KMT2A
SCHEMBL19983221 0.89 CYP3A4 (0.50) TDP1ATMCYP3A4NPSR1MEN1
SCHEMBL22460385 0.86 CYP3A4 (0.48) TDP1ATMCYP3A4NPSR1MEN1
SCHEMBL6522512 0.86 KMT2A (0.44) CYP3A4MEN1KMT2AALDH1A1RAB9A
SCHEMBL6522516 0.86 KMT2A (0.44) CYP3A4MEN1KMT2AALDH1A1RAB9A
SCHEMBL23023495 0.83 TDP1 (0.54) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL19983018 0.83 TDP1 (0.54) TDP1ATMNPSR1MEN1KMT2A
SCHEMBL13044176 0.83 NPSR1 (0.45) TDP1ATMCYP3A4NPSR1MEN1

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

“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.