SCHEMBL16135887

SCHEMBL16135887

CCc1ccc(S(=O)(=O)N2CCC(N(c3ccccn3)S(=O)(=O)c3cccc(C)c3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ HSD11B1 P28845 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ MEN1 O00255 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
SCHEMBL16136123 0.91 ALDH1A1 (0.46) GAAHTTNPSR1ALDH1A1HSD11B1
SCHEMBL16135978 0.91 ALDH1A1 (0.50) GAAHTTNPSR1ALDH1A1HSD11B1
SCHEMBL16135905 0.90 GAA (0.44) GAAHTTNPSR1ALDH1A1HSD11B1
SCHEMBL16135954 0.87 ALDH1A1 (0.43) GAAHTTNPSR1ALDH1A1HSD11B1
SCHEMBL16135998 0.86 ALDH1A1 (0.45) GAAHTTNPSR1ALDH1A1HSD11B1
SCHEMBL16135889 0.85 ALDH1A1 (0.44) GAAHTTNPSR1ALDH1A1HSD11B1
SCHEMBL16111159 0.83 ALDH1A1 (0.47) GAAHTTNPSR1ALDH1A1HSD11B1
SCHEMBL16135979 0.81 ALDH1A1 (0.48) HTTNPSR1ALDH1A1HSD11B1L3MBTL1
SCHEMBL16135994 0.80 ALDH1A1 (0.44) ALDH1A1HSD11B1L3MBTL1LMNAHTR2A
SCHEMBL16136091 0.76 ALDH1A1 (0.43) ALDH1A1HSD11B1L3MBTL1LMNAHTR2A

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 GAA 63/4885HTT 4260/4885NPSR1 3043/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE GAA 63/4885HTT 4260/4885NPSR1 3043/4885

“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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