SCHEMBL16136144

SCHEMBL16136144

CCc1ccc(S(=O)(=O)N2CCC(N(C(=O)c3ccccc3Cl)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.49
▸ TP53 P04637 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KMT2A Q03164 2/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ SLC13A5 Q86YT5 1/20 0.43

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
SCHEMBL16135843 0.95 ALDH1A1 (0.56) ALDH1A1HRH3PKMLMNAL3MBTL1
SCHEMBL16135855 0.92 ALDH1A1 (0.57) ALDH1A1TP53LMNAL3MBTL1KMT2A
SCHEMBL16311199 0.92 ALDH1A1 (0.52) ALDH1A1TP53PKMLMNAL3MBTL1
SCHEMBL16311215 0.92 ALDH1A1 (0.52) ALDH1A1HRH3PKMLMNAL3MBTL1
SCHEMBL16136147 0.91 ALDH1A1 (0.51) ALDH1A1HRH3POLBLMNAL3MBTL1
SCHEMBL16136138 0.91 ALDH1A1 (0.51) ALDH1A1PKMLMNAL3MBTL1KMT2A
SCHEMBL16111205 0.89 CHRM5 (0.52) ALDH1A1PKMLMNAL3MBTL1KMT2A
SCHEMBL16136140 0.86 ALDH1A1 (0.50) ALDH1A1PKMPOLBLMNAL3MBTL1
SCHEMBL16135837 0.84 ALDH1A1 (0.44) ALDH1A1POLBLMNAL3MBTL1KMT2A
SCHEMBL16135884 0.83 ALDH1A1 (0.57) ALDH1A1PKMLMNAL3MBTL1KMT2A

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 514/4885HRH3 1675/4885TP53 4275/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885HRH3 1675/4885TP53 4275/4885

“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.

Send feedback