SCHEMBL18044866

SCHEMBL18044866

NC(=O)c1cc(S(=O)(=O)C2CNCCO2)sc1NC(=O)c1cscn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 3/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ TAAR1 Q96RJ0 3/20 0.33
▸ ROCK2 O75116 1/20 0.32

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
SCHEMBL18044865 0.87 IKBKB (0.41) CFTRCHEK1ALDH1A1MAPTSLC6A3
SCHEMBL18044863 0.85 CFTR (0.36) CFTRCHEK1USP2ALDH1A1MAPT
SCHEMBL18044883 0.84 CFTR (0.40) CFTRCHEK1USP2ALDH1A1MAPT
SCHEMBL18044875 0.84 SLC6A3 (0.51) CFTRCHEK1USP2ALDH1A1MAPT
SCHEMBL18044877 0.84 CFTR (0.38) CFTRCHEK1USP2ALDH1A1MAPT
SCHEMBL18044885 0.83 CFTR (0.43) CFTRCHEK1USP2ALDH1A1MAPT
SCHEMBL18044862 0.82 CFTR (0.39) CFTRCHEK1
SCHEMBL18044891 0.82 CFTR (0.39) CFTRCHEK1SLC6A3KCNH2TAAR1
SCHEMBL18044889 0.82 CFTR (0.38) CFTRCHEK1
SCHEMBL18044895 0.81 ALDH1A1 (0.36) CFTRCHEK1USP2ALDH1A1MAPT

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 3757/4885USP2 3112/4885

“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.

Send feedback