SCHEMBL23866608

SCHEMBL23866608

CC(C)C(=O)NC[C@@H](O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
CFTR P13569 3/20 0.36
CETP P11597 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
MLYCD O95822 2/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
ACVR1 Q04771 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
GABRA5 P31644 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL24898144 0.84 PKM (0.39) PKMCFTRCETPKMT2AGAA
SCHEMBL26077986 0.81 TSHR (0.37) CYP2D6CYP2C19CYP2C9KMT2AERCC1
SCHEMBL6022353 0.78 PKM (0.45) PKMCFTRCETPGAAACVR1
SCHEMBL17777034 0.78 PKM (0.45) PKMCFTRCETPGAAACVR1
SCHEMBL17777051 0.78 PKM (0.45) PKMCFTRCETPGAAACVR1
SCHEMBL19736261 0.78 ANPEP (0.33) CYP2D6CYP2C19MLYCDCYP2C9KMT2A
SCHEMBL24392067 0.76 HPGD (0.41) PKMCFTRCYP2D6CYP2C19KMT2A
SCHEMBL24015930 0.76 PKM (0.46) PKMCFTRCETPGAAACVR1
SCHEMBL14842172 0.76 PKM (0.46) PKMCFTRCETPCYP2D6CYP2C19
SCHEMBL24015915 0.76 PKM (0.46) PKMCFTRCETPGAAACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 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 (1 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 PKM 2543/4885CFTR 665/4885CETP 1493/4885

“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.