SCHEMBL17646299

SCHEMBL17646299

O=C(NCCCC[C@H](NC(=O)c1ccccc1)C(=O)c1nc2ccccc2s1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
FOLH1 Q04609 2/20 0.50
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
PTGER4 P35408 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45

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
SCHEMBL22150087 1.00 CA1 (0.56) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL19665736 0.95 CA1 (0.53) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL17646371 0.95 CA1 (0.53) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL17646359 0.93 HDAC3 (0.49) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL28341580 0.93 HDAC3 (0.49) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL17665927 0.90 HDAC3 (0.54) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL17646345 0.89 HDAC3 (0.51) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL19665650 0.89 HDAC3 (0.51) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL17672358 0.88 HDAC3 (0.53) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL17646266 0.88 HDAC6 (0.50) CA1CA2HDAC3HDAC4HDAC1

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 21 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
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-9988375-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2018-06-05 US disclosed
US-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2017-12-07 US disclosed
US-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2017-12-07 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
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 CA1 651/4885CA2 837/4885HDAC3 1067/4885
US-20190322659-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP CA1 651/4885CA2 837/4885HDAC3 1067/4885
US-20210017167-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP CA1 651/4885CA2 837/4885HDAC3 1067/4885
US-10676470-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP CA1 651/4885CA2 837/4885HDAC3 1067/4885
US-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP CA1 651/4885CA2 837/4885HDAC3 1067/4885
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP CA1 651/4885CA2 837/4885HDAC3 1067/4885
US-11332464-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP CA1 651/4885CA2 837/4885HDAC3 1067/4885
US-10301301-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP CA1 651/4885CA2 837/4885HDAC3 1067/4885

“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.