SCHEMBL16135994

SCHEMBL16135994

CCc1ccc(S(=O)(=O)N2CCC(N(c3cc(C)ccn3)S(=O)(=O)c3ccccc3Cl)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSD11B1 P28845 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KLK7 P49862 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
SCHEMBL16135931 0.92 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1HSD11B1THRB
SCHEMBL16111159 0.89 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1HSD11B1THRB
SCHEMBL16135995 0.89 ALDH1A1 (0.42) ALDH1A1LMNAL3MBTL1HSD11B1HTR2A
SCHEMBL16135996 0.88 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1HSD11B1THRB
SCHEMBL16136143 0.87 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1HSD11B1THRB
SCHEMBL16136130 0.87 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1HSD11B1THRB
SCHEMBL16136129 0.85 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1HSD11B1THRB
SCHEMBL16135992 0.85 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1HSD11B1THRB
SCHEMBL16136127 0.84 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1HSD11B1THRB
SCHEMBL16136092 0.84 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1HSD11B1THRB

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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