SCHEMBL16135772

SCHEMBL16135772

CCc1ccc(S(=O)(=O)N2CCC(N(C(=O)Nc3ccccc3)c3cccc(C)n3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 6/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NAMPT P43490 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ F13A1 P00488 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ TGM1 P22735 1/20 0.42
▸ TGM3 Q08188 1/20 0.42

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
SCHEMBL16111047 0.89 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1MAPTGAA
SCHEMBL16135773 0.88 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1MAPTGAA
SCHEMBL16135851 0.82 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1MAPTGAA
SCHEMBL16135979 0.80 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1MAPTNPSR1
SCHEMBL16135770 0.77 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1GAANPSR1
SCHEMBL16136092 0.75 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1MAPTNPSR1
SCHEMBL16135774 0.73 ALDH1A1 (0.68) ALDH1A1LMNAL3MBTL1GAANPSR1
SCHEMBL16135777 0.73 SMN1; SMN2 (0.50) ALDH1A1LMNAMAPTNPSR1MEN1
SCHEMBL16136091 0.73 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1MAPTTP53
SCHEMBL16111168 0.71 CCR6 (0.55) ALDH1A1LMNAL3MBTL1MAPTUSP2

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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