SCHEMBL16111175

SCHEMBL16111175

COc1cccc(NS(=O)(=O)c2ccccc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
HSD11B1 P28845 1/20 0.56
CCR4 P51679 9/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47
SLC40A1 Q9NP59 1/20 0.47
NFE2L2 Q16236 1/20 0.45
EDNRA P25101 1/20 0.45
PGR P06401 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL3937192 0.89 HSD11B1 (0.71) PKMHSD11B1CCR4LMNAMAPT
SCHEMBL16110380 0.81 HSD11B1 (0.81) PKMHSD11B1LMNAMAPTALDH1A1
SCHEMBL29023892 0.80 KDM4E (0.65) HSD11B1CCR4LMNAALDH1A1
SCHEMBL25415695 0.77 CCR4 (0.57) PKMCCR4LMNAMAPTGAA
SCHEMBL21048010 0.77 CCR4 (0.60) PKMHSD11B1CCR4LMNAMAPT
SCHEMBL16110825 0.76 ALDH1A1 (0.68) PKMLMNAALDH1A1GAASLC40A1
SCHEMBL3928518 0.76 HSD11B1 (0.67) PKMHSD11B1CCR4LMNAMAPT
SCHEMBL16311219 0.75 PKM (0.57) PKMHSD11B1CCR4LMNAMAPT
SCHEMBL30634095 0.75 CCR4 (0.60) PKMCCR4LMNAMAPTGAA
SCHEMBL20575835 0.75 CCR4 (0.60) PKMCCR4LMNAMAPTGAA

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 9 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
EP-2968285-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Flatley Discovery Lab (US) 2016-01-20 EP 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
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 PKM 1872/4885HSD11B1 491/4885CCR4 529/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE PKM 1872/4885HSD11B1 491/4885CCR4 529/4885

“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.