SCHEMBL16136143

SCHEMBL16136143

CCc1ccc(S(=O)(=O)N2CCC(N(c3cnccn3)S(=O)(=O)c3ccccc3Cl)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ NAMPT P43490 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HSD11B1 P28845 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38

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 0.90 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1HSD11B1HTR2A
SCHEMBL16135931 0.88 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1HSD11B1HTR2A
SCHEMBL16136129 0.88 ALDH1A1 (0.44) ALDH1A1NAMPTLMNAL3MBTL1HSD11B1
SCHEMBL16135996 0.87 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1HSD11B1HTR2A
SCHEMBL16135994 0.87 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1HSD11B1HTR2A
SCHEMBL16136127 0.86 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1HSD11B1HTR2A
SCHEMBL16311203 0.86 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1HSD11B1HTR2A
SCHEMBL16136130 0.86 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1HSD11B1HTR2A
SCHEMBL16135985 0.85 ALDH1A1 (0.42) ALDH1A1LMNAL3MBTL1HSD11B1HTR2A
SCHEMBL16311201 0.85 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1HSD11B1HTR2A

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 514/4885NAMPT 1058/4885LMNA 1994/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885NAMPT 1058/4885LMNA 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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