SCHEMBL31020945

SCHEMBL31020945

O=C(c1cc(C(F)(F)F)[nH]n1)N1CCc2[nH]c3ccc(C(F)(F)F)cc3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 20/20 1.00

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
SCHEMBL23828222 1.00 CFTR (1.00) CFTR
SCHEMBL23828301 0.90 CFTR (1.00) CFTR
SCHEMBL23828274 0.89 CFTR (1.00) CFTR
SCHEMBL23828205 0.89 CFTR (0.81) CFTR
SCHEMBL23828218 0.88 CFTR (1.00) CFTR
SCHEMBL23828201 0.88 CFTR (1.00) CFTR
SCHEMBL23828255 0.87 CFTR (1.00) CFTR
SCHEMBL23828231 0.87 CFTR (1.00) CFTR
SCHEMBL21617989 0.87 CFTR (1.00) CFTR
SCHEMBL31020962 0.87 CFTR (1.00) CFTR

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-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 — — 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-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 CFTR 1/4885

“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.

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