SCHEMBL18044889

SCHEMBL18044889

NC(=O)c1cc(S(=O)(=O)C2CNCCO2)sc1NC(=O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 4/20 0.38
▸ CHEK1 O14757 4/20 0.35
▸ GRM4 Q14833 2/20 0.33
▸ IRAK4 Q9NWZ3 6/20 0.32
▸ CASP3 P42574 2/20 0.32
▸ SENP8 Q96LD8 2/20 0.32
▸ SENP7 Q9BQF6 2/20 0.32
▸ SENP6 Q9GZR1 2/20 0.32
▸ BTK Q06187 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ CDK2AP1 O14519 2/20 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
SCHEMBL18044883 0.86 CFTR (0.40) CFTRCHEK1IRAK4CDK2AP1
SCHEMBL18044865 0.84 IKBKB (0.41) CFTRCHEK1CDK2AP1
SCHEMBL18044891 0.84 CFTR (0.39) CFTRCHEK1IRAK4
SCHEMBL18044866 0.82 CFTR (0.36) CFTRCHEK1
SCHEMBL18044863 0.82 CFTR (0.36) CFTRCHEK1CDK2AP1
SCHEMBL18044890 0.81 CFTR (0.40) CFTRCHEK1
SCHEMBL18044900 0.81 CFTR (0.40) CFTRCHEK1GRM4
SCHEMBL18044875 0.80 SLC6A3 (0.51) CFTRCHEK1IRAK4
SCHEMBL18044862 0.80 CFTR (0.39) CFTRCHEK1CDK2AP1
SCHEMBL18044877 0.80 CFTR (0.38) CFTRCHEK1IRAK4

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-9867806-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-01-16 — — US disclosed
US-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2016-09-15 — — 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-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC3, ABCC5 CFTR 1/4885CHEK1 3757/4885GRM4 4784/4885

“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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