SCHEMBL16136140

SCHEMBL16136140

CCc1ccc(S(=O)(=O)N2CCC(N(C(=O)c3ccccc3Cl)c3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KMT2A Q03164 5/20 0.44
▸ PKM P14618 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ CHRM5 P08912 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ F10 P00742 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ OPRM1 P35372 1/20 0.40

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
SCHEMBL16135855 0.92 ALDH1A1 (0.57) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL16135843 0.91 ALDH1A1 (0.56) ALDH1A1LMNAL3MBTL1KMT2APKM
SCHEMBL16311215 0.87 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1KMT2APKM
SCHEMBL16311199 0.87 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL16136138 0.86 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1KMT2APKM
SCHEMBL16136147 0.86 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1KMT2ACHRM5
SCHEMBL16136144 0.86 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1KMT2APKM
SCHEMBL16111205 0.85 CHRM5 (0.52) ALDH1A1LMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL16135837 0.83 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1KMT2ACHRM5
SCHEMBL16135851 0.82 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1KMT2APKM

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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