SCHEMBL16111159

SCHEMBL16111159

CCc1ccc(S(=O)(=O)N2CCC(N(c3ccccn3)S(=O)(=O)c3ccccc3Cl)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ HSD11B1 P28845 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ GRM4 Q14833 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ F10 P00742 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
SCHEMBL16135996 0.91 ALDH1A1 (0.49) ALDH1A1HSD11B1POLBLMNAL3MBTL1
SCHEMBL16135889 0.91 ALDH1A1 (0.44) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16136129 0.90 ALDH1A1 (0.44) ALDH1A1HSD11B1POLBLMNAL3MBTL1
SCHEMBL16135931 0.90 ALDH1A1 (0.44) ALDH1A1HSD11B1POLBLMNAL3MBTL1
SCHEMBL16136143 0.90 ALDH1A1 (0.44) ALDH1A1HSD11B1POLBLMNAL3MBTL1
SCHEMBL16135998 0.90 ALDH1A1 (0.45) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16135994 0.89 ALDH1A1 (0.44) ALDH1A1HSD11B1POLBLMNAL3MBTL1
SCHEMBL16136127 0.89 ALDH1A1 (0.45) ALDH1A1HSD11B1POLBLMNAL3MBTL1
SCHEMBL16135978 0.88 ALDH1A1 (0.50) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16136130 0.88 ALDH1A1 (0.44) ALDH1A1HSD11B1POLBLMNAL3MBTL1

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 12 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-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-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 — — US disclosed
EP-2968285-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Flatley Discovery Lab (US) 2016-01-20 — — EP 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
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
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 514/4885HSD11B1 491/4885POLB 1161/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885HSD11B1 491/4885POLB 1161/4885

“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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