SCHEMBL17646244

SCHEMBL17646244

O=C(NCCCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)C(=O)c1nc2ccccc2s1)OCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
PRSS1 P07477 3/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
F2 P00734 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
SCHEMBL19665756 1.00 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL17646283 1.00 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL17661732 1.00 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL17646380 1.00 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL17672350 0.91 ITGB3 (0.54) ITGB3ITGA2BF2
SCHEMBL17646271 0.91 ITGB3 (0.54) ITGB3ITGA2BF2
SCHEMBL17646340 0.91 ITGB3 (0.54) ITGB3ITGA2BF2
SCHEMBL17646314 0.91 ITGB3 (0.54) ITGB3ITGA2BF2
SCHEMBL17646238 0.88 HDAC3 (0.50) ITGB3ITGA2B
SCHEMBL22150083 0.88 HDAC3 (0.50) ITGB3ITGA2B

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
US-10676470-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2020-06-09 US 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-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-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 ITGB3 3890/4885ITGA2B 2880/4885PRSS1 55/4885
US-20190322659-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ITGB3 3890/4885ITGA2B 2880/4885PRSS1 55/4885
US-20210017167-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ITGB3 3890/4885ITGA2B 2880/4885PRSS1 55/4885
US-10676470-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP ITGB3 3890/4885ITGA2B 2880/4885PRSS1 55/4885
US-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ITGB3 3890/4885ITGA2B 2880/4885PRSS1 55/4885
US-20160096830-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ITGB3 3890/4885ITGA2B 2880/4885PRSS1 55/4885
US-11332464-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP ITGB3 3890/4885ITGA2B 2880/4885PRSS1 55/4885
US-10301301-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP ITGB3 3890/4885ITGA2B 2880/4885PRSS1 55/4885

“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.