SCHEMBL22374347

SCHEMBL22374347

CS(=O)(=O)OC(c1cncnc1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL28536430 0.79 CYP3A4 (0.33) CYP3A4ALDH1A1
SCHEMBL12181367 0.76 CYP19A1 (0.31)
Acetic Acid SCHEMBL27871968 0.75 LMNA (0.42) ALDH1A1
SCHEMBL7859424 0.75 NPSR1 (0.41) CYP3A4ALDH1A1
SCHEMBL16563235 0.70 KIF11 (0.45) ALDH1A1
SCHEMBL1584060 0.68 MAPK1 (0.46) CYP3A4ALDH1A1
SCHEMBL12471713 0.66 ABCB11 (0.47)
SCHEMBL507136 0.66 SLC6A3 (0.40) CYP3A4ALDH1A1
SCHEMBL28869172 0.65 CYP19A1 (0.34)
SCHEMBL28869171 0.65 CYP19A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-11542233-B2 Compounds, compositions and methods of use AQUINNAH PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2020-08-27 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 (3 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-11542233-B2 Compounds, compositions and methods of use FUS, TFEB, CLN6 CYP3A4 4624/4885CYP3A5 4617/4885ALDH1A1 3706/4885
US-20200270211-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 CYP3A4 4624/4885CYP3A5 4617/4885ALDH1A1 3706/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 CYP3A4 4624/4885CYP3A5 4617/4885ALDH1A1 3706/4885

“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.