SCHEMBL21152647

SCHEMBL21152647

CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCc3cn(-c4cccc(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)COc5c(F)cc(CCNC(=O)c6ccc(/N=N/c7ccc(N(C)C)cc7)cc6)cc5F)c4)nn3)n1[B-]2(F)F

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 8/20 0.38
ITGB3 P05106 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA5 P08648 1/20 0.30
ITGB6 P18564 1/20 0.30
ITGB8 P26012 1/20 0.30

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
SCHEMBL21152695 0.97 ESRRA (0.38) ESRRAITGB3ITGB1ITGAVITGA5
SCHEMBL21152666 0.94 ESRRA (0.38) ESRRA
SCHEMBL21152628 0.94 ESRRA (0.38) ESRRA
SCHEMBL21153288 0.91 ESRRA (0.37) ESRRA
SCHEMBL25658857 0.86 ESRRA (0.38) ESRRA
SCHEMBL21152646 0.84 FOLH1 (0.35)
SCHEMBL19983116 0.81 MEN1 (0.34)
SCHEMBL25658966 0.77 TDP1 (0.39)
SCHEMBL21152665 0.74 ALB (0.39)
SCHEMBL19983080 0.72 CTSH (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2023-05-11 US disclosed
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2019-07-11 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 (2 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-20230142714-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP ESRRA 2729/4885ITGB3 3953/4885ITGB1 3353/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP ESRRA 2729/4885ITGB3 3953/4885ITGB1 3353/4885

“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.