SCHEMBL2597433

SCHEMBL2597433

CC(C)C(=O)N(n1c(=O)[nH]c2cc(C(F)(F)F)c([C@H]3CCCO3)cc2c1=O)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.40
AR P10275 6/20 0.33
DDR1 Q08345 7/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 3/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
HPGD P15428 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 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
SCHEMBL2597434 1.00 CFTR (0.40) CFTRARDDR1ALDH1A1KDM4E
SCHEMBL2597449 0.91 CFTR (0.41) CFTRARDDR1ALDH1A1KDM4E
SCHEMBL2597371 0.91 CFTR (0.41) CFTRARDDR1ALDH1A1KDM4E
SCHEMBL12180593 0.91 CFTR (0.41) CFTRARDDR1ALDH1A1KDM4E
SCHEMBL2597156 0.89 CFTR (0.40) CFTRARDDR1ALDH1A1KDM4E
SCHEMBL2597155 0.89 CFTR (0.40) CFTRARDDR1ALDH1A1KDM4E
SCHEMBL2597145 0.88 CFTR (0.40) CFTRARDDR1ALDH1A1KDM4E
SCHEMBL2597306 0.88 CFTR (0.46) CFTRARALDH1A1KDM4EHSD17B10
SCHEMBL2597227 0.88 CFTR (0.46) CFTRARALDH1A1KDM4EHSD17B10
SCHEMBL2597144 0.88 CFTR (0.40) CFTRARDDR1ALDH1A1KDM4E

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 3 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 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 876/4885AR 3745/4885DDR1 2099/4885

“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.