SCHEMBL16136123

SCHEMBL16136123

CCc1ccc(S(=O)(=O)N2CCC(N(c3ccccn3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSD11B1 P28845 5/20 0.46
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL16135978 0.94 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HSD11B1LMNAL3MBTL1
SCHEMBL16135998 0.91 ALDH1A1 (0.45) ALDH1A1HSD11B1LMNAL3MBTL1KDM4E
SCHEMBL16135887 0.91 GAA (0.45) ALDH1A1SMN1; SMN2HSD11B1LMNAL3MBTL1
SCHEMBL16135954 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD11B1LMNAL3MBTL1
SCHEMBL16135889 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HSD11B1LMNAL3MBTL1
SCHEMBL16111159 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HSD11B1LMNAL3MBTL1
SCHEMBL16135905 0.86 GAA (0.44) ALDH1A1HSD11B1LMNAL3MBTL1KDM4E
SCHEMBL16135979 0.82 ALDH1A1 (0.48) ALDH1A1HSD11B1LMNAL3MBTL1KDM4E
SCHEMBL16136130 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HSD11B1LMNAL3MBTL1
SCHEMBL16135994 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HSD11B1LMNAL3MBTL1

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 514/4885SMN1; SMN2 3019/4885HSD11B1 491/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885SMN1; SMN2 3019/4885HSD11B1 491/4885

“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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