SCHEMBL21153286

SCHEMBL21153286

CC(C)(C)OC(=O)NCCCC[C@H](NC(O)c1cccc(F)c1)C(=O)CCl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
NPSR1 Q6W5P4 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 3/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
BRD4 O60885 1/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
ATM Q13315 1/20 0.38
CXCR3 P49682 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38

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
SCHEMBL23023497 0.89 CA1 (0.43) CA1CA2NPSR1MEN1KMT2A
SCHEMBL19982962 0.86 CA1 (0.40) CA1CA2NPSR1MEN1KMT2A
SCHEMBL19983291 0.85 TDP1 (0.41) CA1CA2NPSR1MEN1KMT2A
SCHEMBL21153178 0.83 CYP3A4 (0.49) CA1CA2NPSR1MEN1KMT2A
SCHEMBL23023429 0.82 TDP1 (0.43) CA1CA2NPSR1MEN1KMT2A
SCHEMBL19983329 0.82 TDP1 (0.42) CA1CA2NPSR1MEN1KMT2A
SCHEMBL19983024 0.82 CA1 (0.45) CA1CA2NPSR1MEN1KMT2A
SCHEMBL25496760 0.80 MEN1 (0.50) CA1CA2MEN1KMT2ACTSS
SCHEMBL21153435 0.79 TDP1 (0.41) CA1CA2NPSR1MEN1KMT2A
SCHEMBL6237655 0.77 CTSS (0.45) CA1CA2MEN1KMT2AALDH1A1

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-10730826-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2020-08-04 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-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP CA1 262/4885CA2 893/4885NPSR1 4201/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CA1 262/4885CA2 893/4885NPSR1 4201/4885

“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.