SCHEMBL18044903

SCHEMBL18044903

Cn1nc(C(C)(C)C)cc1C(=O)Nc1sc(S(=O)(=O)C2CNCCO2)cc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CFTR P13569 6/20 0.37
▸ AAK1 Q2M2I8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL18044879 0.82 AURKA (0.38) ALDH1A1CFTRSMN1; SMN2HSD17B10
SCHEMBL18044899 0.81 CFTR (0.51) ALDH1A1CFTRKDM4EHPGDMAPK1
SCHEMBL16246386 0.79 CFTR (0.47) ALDH1A1LMNACFTRAAK1KDM4E
SCHEMBL18044883 0.78 CFTR (0.40) ALDH1A1CFTRHPGDHSD17B10
SCHEMBL18044885 0.77 CFTR (0.43) ALDH1A1CFTRHSD17B10
SCHEMBL18044874 0.77 CFTR (0.44) CFTR
SCHEMBL18044895 0.77 ALDH1A1 (0.36) ALDH1A1CFTRKDM4EHPGDSMN1; SMN2
SCHEMBL18044875 0.76 SLC6A3 (0.51) ALDH1A1CFTRHSD17B10
SCHEMBL18044889 0.76 CFTR (0.38) CFTR
SCHEMBL18044865 0.76 IKBKB (0.41) ALDH1A1CFTRSMN1; SMN2

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 ALDH1A1 1522/4885LMNA 2869/4885CFTR 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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