SCHEMBL26821925

SCHEMBL26821925

CCC(=O)C(C(=O)CC)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CES2 O00748 4/20 0.32
FAAH O00519 8/20 0.31
CES1 P23141 5/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8380538 0.76 TDP1 (0.38) TDP1FFAR3ALDH1A1CES2FAAH
SCHEMBL14665160 0.76 TDP1 (0.38) TDP1FFAR3ALDH1A1CES2FAAH
SCHEMBL4260552 0.76 TDP1 (0.32) TDP1FFAR3ALDH1A1CES2FAAH
Fluoride SCHEMBL27756652 0.74 TDP1 (0.30) TDP1FFAR3ALDH1A1CES2
SCHEMBL27657590 0.72
SCHEMBL23902123 0.69 RNPEP (0.32)
SCHEMBL19684290 0.69 CES2 (0.31) CES2
SCHEMBL20473345 0.69 ALDH1A1 (0.43) ALDH1A1HSD17B10
SCHEMBL16108844 0.69 FFAR3 (0.36) TDP1FFAR3ALDH1A1
SCHEMBL9663759 0.67 LMNA (0.31)

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-20230357191-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-09 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-20230357191-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A4, TMEM109 TDP1 4719/4885FFAR3 382/4885ALDH1A1 1328/4885

“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.