SCHEMBL19982963

SCHEMBL19982963

CC(C)(C)OC(=O)NCCCCCC(=O)COc1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA12 O43570 4/20 0.45
CA9 Q16790 4/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
DRD2 P14416 2/20 0.42
SCN9A Q15858 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL19983069 0.90 CYP3A4 (0.46) CYP3A4TDP1CA1CA2CA12
SCHEMBL19983328 0.78 ESRRG (0.44) CYP3A4CA1CA2CA12CA9
SCHEMBL19983252 0.77 CYP3A4 (0.50) CYP3A4TDP1CA1CA2CA12
SCHEMBL23796543 0.77 SCN9A (0.42) CYP3A4TDP1CA1CA2CA12
SCHEMBL24672519 0.76 TDP1 (0.48) CYP3A4TDP1CA1CA2CA12
SCHEMBL30958391 0.75 TDP1 (0.68) CYP3A4TDP1CA1CA2CA12
SCHEMBL19983027 0.75 LMNA (0.41) SCN9AKDM4E
SCHEMBL23796281 0.74 SCN9A (0.43) CYP3A4TDP1CA1CA2CA12
SCHEMBL24011123 0.74 CYP3A4 (0.46) CYP3A4TDP1CA1CA2CA12
SCHEMBL22880704 0.73 NPC1 (0.52) TDP1

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-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
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-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP CYP3A4 1403/4885TDP1 1585/4885CA1 262/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP CYP3A4 1403/4885TDP1 1585/4885CA1 262/4885

“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.