SCHEMBL19665673

SCHEMBL19665673

CC(C)(C)OC(=O)N1CCOC(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)c2nc3ccccc3s2)C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
KLK7 P49862 2/20 0.46
KLK5 Q9Y337 2/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL17646282 1.00 ABCB1 (0.46) ABCB1ITGB3ITGA2BKLK7KLK5
SCHEMBL20575153 0.91 HDAC3 (0.46)
SCHEMBL17646385 0.91 HDAC3 (0.46)
SCHEMBL28344178 0.87 ITGB3 (0.60) ABCB1ITGB3ITGA2BMAPT
SCHEMBL22150089 0.87 ITGB3 (0.60) ABCB1ITGB3ITGA2BMAPT
SCHEMBL17646351 0.87 ITGB3 (0.60) ABCB1ITGB3ITGA2BMAPT
SCHEMBL17646384 0.87 ITGB3 (0.60) ABCB1ITGB3ITGA2BMAPT
SCHEMBL17665928 0.87 HDAC3 (0.46)
SCHEMBL17646261 0.84 HDAC3 (0.48)
SCHEMBL17646300 0.83 HDAC3 (0.47)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-107108468-B Inhibitors of lysine porphyromonas gingivalis protease 库特克希米公司 2020-01-03 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ABCB1 1464/4885ITGB3 3890/4885ITGA2B 2880/4885

“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.