SCHEMBL2597385

SCHEMBL2597385

CCOC(=O)N(n1c(=O)[nH]c2cc(C(F)(F)F)c(C3CCCO3)cc2c1=O)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.40
ALDH1A1 P00352 9/20 0.34
KDM4E B2RXH2 6/20 0.34
GAA P10253 5/20 0.34
MAPK1 P28482 4/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 5/20 0.33
HPGD P15428 3/20 0.33
GLA P06280 2/20 0.33
POLB P06746 1/20 0.33
DDR1 Q08345 6/20 0.33
AR P10275 2/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL12180733 1.00 CFTR (0.40) CFTRALDH1A1KDM4EGAAMAPK1
SCHEMBL2597471 0.94 CFTR (0.39) CFTRALDH1A1KDM4EGAAMAPK1
SCHEMBL2597470 0.94 CFTR (0.39) CFTRALDH1A1KDM4EGAAMAPK1
SCHEMBL2597373 0.92 CFTR (0.38) CFTRALDH1A1KDM4EGAAMAPK1
SCHEMBL2597382 0.92 CFTR (0.38) CFTRALDH1A1KDM4EGAAMAPK1
SCHEMBL2597407 0.92 CFTR (0.38) CFTRALDH1A1KDM4EGAAMAPK1
SCHEMBL2597406 0.92 CFTR (0.38) CFTRALDH1A1KDM4EGAAMAPK1
SCHEMBL2597187 0.91 CFTR (0.39) CFTRALDH1A1KDM4EGAAMAPK1
SCHEMBL2597343 0.91 CFTR (0.40) CFTRALDH1A1KDM4EGAAMAPK1
SCHEMBL2597254 0.91 CFTR (0.39) CFTRALDH1A1KDM4EGAAMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571865-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES Novartis AG (CH) 2013-03-27 EP claimed
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG 2013-02-28 US claimed
WO-2011144666-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-11-24 WO claimed
EP-2571865-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES Novartis AG (CH) 2013-03-27 EP disclosed
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG 2013-02-28 US disclosed
WO-2011144666-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-11-24 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 (1 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-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES GRIK2, GRIK1, GRIK4 CFTR 876/4885ALDH1A1 387/4885KDM4E 784/4885

“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.