SCHEMBL21153176

SCHEMBL21153176

CC(C)(C)OC(=O)NCCCCC(CNC(=O)c1ccc(F)nc1)C(=O)CCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.46
EPHX2 P34913 1/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
DRD3 P35462 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL21152641 0.90 FOLH1 (0.46) FOLH1EPHX2STK17BSTK17AHTR1A
SCHEMBL19983324 0.87 FOLH1 (0.50) FOLH1KMT2AMEN1TDP1ATM
SCHEMBL21152481 0.87 FOLH1 (0.50) FOLH1KMT2AMEN1TDP1ATM
SCHEMBL24992894 0.85 EPHX2 (0.52) FOLH1EPHX2STK17BSTK17AHTR1A
SCHEMBL19983018 0.80 TDP1 (0.54) FOLH1KMT2AMEN1GAATDP1
SCHEMBL23023495 0.80 TDP1 (0.54) FOLH1KMT2AMEN1GAATDP1
SCHEMBL21153426 0.78 HTR1A (0.41) FOLH1EPHX2STK17BSTK17AHTR1A
SCHEMBL19983059 0.77 CTSK (0.54) FOLH1TDP1ATM
SCHEMBL25660426 0.77 CTSK (0.54) FOLH1TDP1ATM
SCHEMBL19983329 0.77 TDP1 (0.42) STK17BSTK17AKMT2AMEN1GAA

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 FOLH1 280/4885EPHX2 1431/4885STK17B 1652/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP FOLH1 280/4885EPHX2 1431/4885STK17B 1652/4885

“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.