SCHEMBL16136138

SCHEMBL16136138

CCc1ccc(S(=O)(=O)N2CCC(N(C(=O)c3ccccc3Cl)c3ccc(I)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ LMNA P02545 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CHRM5 P08912 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ PLA2G1B P04054 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39

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
SCHEMBL16135843 0.95 ALDH1A1 (0.56) ALDH1A1LMNAL3MBTL1CHRM5MEN1
SCHEMBL16135855 0.92 ALDH1A1 (0.57) ALDH1A1LMNAL3MBTL1CHRM5MEN1
SCHEMBL16311199 0.92 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL16311215 0.92 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1CHRM5MEN1
SCHEMBL16136147 0.91 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1CHRM5KMT2A
SCHEMBL16136144 0.91 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1KMT2APKM
SCHEMBL16111205 0.89 CHRM5 (0.52) ALDH1A1LMNAL3MBTL1CHRM5MEN1
SCHEMBL16136140 0.86 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1CHRM5MEN1
SCHEMBL16135884 0.83 ALDH1A1 (0.57) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL16135837 0.82 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1CHRM5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 — — US disclosed
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 — — US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 — — US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 — — US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 — — US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 — — US disclosed
WO-2014160478-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 — — WO 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 (2 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-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885LMNA 1994/4885L3MBTL1 3851/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885LMNA 1994/4885L3MBTL1 3851/4885

“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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