SCHEMBL16135889

SCHEMBL16135889

CCc1ccc(S(=O)(=O)N2CCC(N(c3ccccn3)S(=O)(=O)c3ccccc3C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD11B1 P28845 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL16111159 0.91 ALDH1A1 (0.47) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16136123 0.89 ALDH1A1 (0.46) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16135978 0.88 ALDH1A1 (0.50) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16135954 0.87 ALDH1A1 (0.43) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16135998 0.86 ALDH1A1 (0.45) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16135887 0.85 GAA (0.45) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16135905 0.83 GAA (0.44) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16135994 0.82 ALDH1A1 (0.44) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16135996 0.82 ALDH1A1 (0.49) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A
SCHEMBL16136129 0.81 ALDH1A1 (0.44) ALDH1A1HSD11B1LMNAL3MBTL1HTR2A

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 514/4885HSD11B1 491/4885LMNA 1994/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885HSD11B1 491/4885LMNA 1994/4885

“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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