SCHEMBL1669277

SCHEMBL1669277

N=C(N)Nc1ccc(CNC(=O)N2CCN(C(=O)N3CC(O)(C(=O)C(F)(F)F)C3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 13/20 0.40
PRSS1 P07477 8/20 0.39
TPSD1 Q9BZJ3 8/20 0.39
TPSG1 Q9NRR2 8/20 0.39
F2 P00734 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
PLG P00747 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGA4 P13612 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36

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
SCHEMBL13967343 0.87 MEN1 (0.43) TPSAB1PRSS1TPSD1TPSG1F2
SCHEMBL1668312 0.86 TPSAB1 (0.48) TPSAB1PRSS1TPSD1TPSG1MEN1
SCHEMBL19387556 0.84 TPSAB1 (0.38) TPSAB1PRSS1TPSD1TPSG1F2
Trifluoroacetic Acid SCHEMBL7436446 0.80 TPSAB1 (0.47) TPSAB1PRSS1TPSD1TPSG1F2
SCHEMBL13976973 0.80 MEN1 (0.35) TPSAB1PRSS1TPSD1TPSG1F2
SCHEMBL7436458 0.78 TPSAB1 (0.48) TPSAB1PRSS1TPSD1TPSG1F2
SCHEMBL7424872 0.77 TPSAB1 (0.53) TPSAB1PRSS1TPSD1TPSG1F2
Trifluoroacetic Acid SCHEMBL7422430 0.76 POLB (0.44) TPSAB1PRSS1TPSD1TPSG1F2
SCHEMBL7506036 0.74 TPSAB1 (0.65) TPSAB1PRSS1TPSD1TPSG1F2
SCHEMBL7508800 0.73 TPSAB1 (0.66) TPSAB1PRSS1TPSD1TPSG1F2

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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US claimed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO claimed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS TPSAB1 4615/4885PRSS1 3204/4885TPSD1 4754/4885

“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.