SCHEMBL2597334

SCHEMBL2597334

CCn1nccc1-c1cc(C(=O)OC)c(N)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 10/20 0.57
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MBOAT4 Q96T53 1/20 0.37
GLA P06280 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
ABL1 P00519 1/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL2388568 0.89 CFTR (0.54) CFTRKDM4EALDH1A1MAPTGAA
SCHEMBL2390430 0.85 CFTR (0.60) CFTRKDM4EALDH1A1MAPTGAA
SCHEMBL2389202 0.83 CFTR (0.57) CFTRKDM4EALDH1A1MAPTGAA
SCHEMBL2597133 0.83 CFTR (0.40) CFTRKDM4EALDH1A1MAPTGAA
SCHEMBL9942870 0.82 CFTR (0.52) CFTRKDM4EALDH1A1MAPTGAA
SCHEMBL2390179 0.80 CFTR (0.51) CFTRKDM4EALDH1A1MAPTGAA
SCHEMBL2387696 0.79 CFTR (0.53) CFTRKDM4EALDH1A1MAPTGAA
SCHEMBL2389272 0.77 CFTR (0.48) CFTRKDM4EALDH1A1MAPTGAA
SCHEMBL2389212 0.75 CFTR (0.60) CFTRKDM4EALDH1A1MAPTGAA
SCHEMBL2390646 0.74 CFTR (0.57) CFTRKDM4EALDH1A1MAPTGAA

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 disclosed
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG 2013-02-28 US disclosed
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG 2013-02-28 US 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 876/4885KDM4E 784/4885ALDH1A1 387/4885

“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.