SCHEMBL17646353

SCHEMBL17646353

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cccc(N=[N+]=[N-])c1)C(=O)CBr

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALB P02768 8/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 5/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PAX8 Q06710 1/20 0.39

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
SCHEMBL28344053 1.00 ALB (0.42) ALBCA1CA2TDP1ATM
SCHEMBL19983028 0.92 ALB (0.43) ALBCA1CA2TDP1ATM
SCHEMBL17646270 0.90 ALB (0.52) ALBCA1CA2TDP1NPSR1
SCHEMBL28172916 0.90 ALB (0.52) ALBCA1CA2TDP1NPSR1
SCHEMBL18236311 0.90 TDP1 (0.46) ALBCA1CA2TDP1ATM
SCHEMBL19688865 0.87 ALB (0.42) ALBCA1CA2TDP1ATM
SCHEMBL19665648 0.87 ALB (0.42) ALBCA1CA2TDP1ATM
SCHEMBL17646346 0.87 ALB (0.42) ALBCA1CA2TDP1ATM
SCHEMBL17646338 0.87 ALB (0.42) ALBCA1CA2TDP1ATM
SCHEMBL19983290 0.87 CTSH (0.41) ALBTDP1ATMNPSR1MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332464-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2022-05-17 US disclosed
US-20210017167-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2021-01-21 US disclosed
EP-3204352-B1 INHIBITORS OF LYSINE GINGIPAIN CORTEXYME INC (US) 2020-07-01 EP disclosed
EP-3204352-B1 INHIBITORS OF LYSINE GINGIPAIN CORTEXYME INC (US) 2020-07-01 EP disclosed
CN-111349053-A Inhibitors of lysine porphyromonas gingivalis protease 库特克希米公司 2020-06-30 CN disclosed
US-10676470-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2020-06-09 US disclosed
CN-107108468-B Inhibitors of lysine porphyromonas gingivalis protease 库特克希米公司 2020-01-03 CN disclosed
US-20190322659-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2019-10-24 US disclosed
US-10301301-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2019-05-28 US disclosed
US-20180346460-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-12-06 US disclosed
US-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2017-12-07 US disclosed
US-9758473-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2017-09-12 US disclosed
US-9758473-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2017-09-12 US disclosed
US-9758473-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2017-09-12 US disclosed
EP-3204352-A2 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2017-08-16 EP disclosed
WO-2016057413-A2 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2016-04-14 WO disclosed
WO-2016057413-A2 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2016-04-14 WO disclosed
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2016-04-07 US disclosed
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2016-04-07 US disclosed
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2016-04-07 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 (8 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-20180346460-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ALB 4533/4885CA1 651/4885CA2 837/4885
US-20190322659-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ALB 4533/4885CA1 651/4885CA2 837/4885
US-20210017167-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ALB 4533/4885CA1 651/4885CA2 837/4885
US-10676470-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP ALB 4533/4885CA1 651/4885CA2 837/4885
US-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ALB 4533/4885CA1 651/4885CA2 837/4885
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ALB 4533/4885CA1 651/4885CA2 837/4885
US-11332464-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP ALB 4533/4885CA1 651/4885CA2 837/4885
US-10301301-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP ALB 4533/4885CA1 651/4885CA2 837/4885

“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.