Sugi Predict

Sugi Predict / Compounds / SCHEMBL2597271

SCHEMBL2597271

SCHEMBL2597271

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.33
▸ DDR1 Q08345 8/20 0.33
▸ AR P10275 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ GAA P10253 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GRIA1 P42261 1/20 0.31
▸ GRIA2 P42262 1/20 0.31
▸ GRIA3 P42263 1/20 0.31
▸ GRIA4 P48058 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
SCHEMBL2597270 1.00 CFTR (0.38) CFTRALDH1A1DDR1ARKDM4E
SCHEMBL2597315 0.92 CFTR (0.39) CFTRALDH1A1DDR1ARKDM4E
SCHEMBL12180733 0.91 CFTR (0.40) CFTRALDH1A1DDR1ARKDM4E
SCHEMBL2597385 0.91 CFTR (0.40) CFTRALDH1A1DDR1ARKDM4E
SCHEMBL2597316 0.90 CFTR (0.38) CFTRALDH1A1DDR1ARKDM4E
SCHEMBL2597142 0.90 CFTR (0.38) CFTRALDH1A1DDR1ARKDM4E
SCHEMBL2597144 0.90 CFTR (0.40) CFTRALDH1A1DDR1ARKDM4E
SCHEMBL2597338 0.89 HSD17B10 (0.38) CFTRALDH1A1DDR1ARKDM4E
SCHEMBL2597471 0.86 CFTR (0.39) CFTRALDH1A1DDR1ARKDM4E
SCHEMBL2597449 0.85 CFTR (0.41) CFTRALDH1A1DDR1ARKDM4E

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
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
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 387/4885DDR1 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.