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SCHEMBL17646385

SCHEMBL17646385

CC(=O)N1CCOC(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)c2nc3ccccc3s2)C1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ PRSS1 P07477 1/20 0.43
▸ TPSAB1 Q15661 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
SCHEMBL20575153 1.00 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19665673 0.91 ABCB1 (0.46) —
SCHEMBL17646282 0.91 ABCB1 (0.46) —
SCHEMBL17665928 0.90 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646261 0.87 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17672350 0.86 ITGB3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646340 0.86 ITGB3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646271 0.86 ITGB3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646314 0.86 ITGB3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646300 0.86 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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 23 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-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 HDAC3 1067/4885HDAC4 790/4885HDAC1 322/4885
US-20190322659-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP HDAC3 1067/4885HDAC4 790/4885HDAC1 322/4885
US-20210017167-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP HDAC3 1067/4885HDAC4 790/4885HDAC1 322/4885
US-10676470-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP HDAC3 1067/4885HDAC4 790/4885HDAC1 322/4885
US-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP HDAC3 1067/4885HDAC4 790/4885HDAC1 322/4885
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP HDAC3 1067/4885HDAC4 790/4885HDAC1 322/4885
US-11332464-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP HDAC3 1067/4885HDAC4 790/4885HDAC1 322/4885
US-10301301-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP HDAC3 1067/4885HDAC4 790/4885HDAC1 322/4885

“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.