SCHEMBL1668562

SCHEMBL1668562

NCc1ccc(CNC(=O)N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 8/20 0.58
TPSD1 Q9BZJ3 4/20 0.58
TPSG1 Q9NRR2 4/20 0.58
PRSS1 P07477 4/20 0.58
KDM4E B2RXH2 1/20 0.49
PLAU P00749 1/20 0.48
PREP P48147 2/20 0.47
F2 P00734 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
PLG P00747 1/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL12801427 0.91 PPID (0.53) TPSAB1TPSD1TPSG1PRSS1KDM4E
SCHEMBL1668508 0.86 PREP (0.52) TPSAB1TPSD1TPSG1PRSS1KDM4E
SCHEMBL1668952 0.85 SIGMAR1 (0.58) TPSAB1TPSD1TPSG1PRSS1KDM4E
SCHEMBL11263011 0.85 PREP (0.59) PREPNPSR1
SCHEMBL7159251 0.85 PREP (0.59) PREPNPSR1
SCHEMBL1670890 0.85 KDM4E (0.50) TPSAB1TPSD1TPSG1PRSS1KDM4E
SCHEMBL27795955 0.81 PREP (0.56) PREPNPSR1
SCHEMBL4613293 0.81 TPSAB1 (0.71) TPSAB1TPSD1TPSG1PRSS1PLAU
SCHEMBL8750837 0.80 PREP (0.60) PREP
SCHEMBL8253758 0.80 PREP (0.60) PREPNPSR1

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
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
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 4615/4885TPSD1 4754/4885TPSG1 4110/4885

“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.