SCHEMBL19983068

SCHEMBL19983068

CC(C)(C)OC(=O)NOc1c(F)ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
CTSK P43235 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MIF P14174 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TRPA1 O75762 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
GAA P10253 1/20 0.33
APLNR P35414 1/20 0.33
KDM4A O75164 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSS P25774 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL19983074 0.85 KMT2A (0.40) RAB9ACTSKLMNAPOLBGAA
SCHEMBL22460583 0.73 ALDH1A1 (0.41) CTSKCTSS
SCHEMBL3126895 0.73 ATR (0.43) RAB9AMIFLMNAPOLBTRPA1
SCHEMBL7008829 0.73 CYP17A1 (0.44) LMNAPOLBAAK1CYP17A1
SCHEMBL16319966 0.70 CES2 (0.55) CES2CES1
SCHEMBL30739735 0.70 CYP17A1 (0.44) LMNAPOLBCYP17A1
SCHEMBL19330781 0.70 ATR (0.56) CES2CES1LMNAPOLBCYP17A1
SCHEMBL12557269 0.69 RAB9A (0.45) RAB9ACTSKLMNAPOLBGAA
SCHEMBL7081259 0.69 NAMPT (0.47) RAB9ACES2CES1LMNAGAA
SCHEMBL19983031 0.69 SCN9A (0.40) RAB9ACTSKAAK1GAACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325884-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2022-05-10 US disclosed
US-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2021-02-25 US disclosed
WO-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 WO 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-20210053908-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP RAB9A 4148/4885CTSK 379/4885CES2 1035/4885
US-11325884-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP RAB9A 4148/4885CTSK 379/4885CES2 1035/4885

“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.