SCHEMBL13830397

SCHEMBL13830397

CN(C)c1ccc(B(O)O)cc1-c1cccc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)c1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.54
PRSS2 P07478 11/20 0.54
PRSS3 P35030 11/20 0.54
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL13830604 0.87 PRSS1 (0.62) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL14898325 0.83 PRSS1 (0.58) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL22652609 0.83 PRSS1 (0.43) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL14898289 0.82 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL14898323 0.82 PRSS1 (0.56) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL14898324 0.81 PRSS1 (0.57) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110332 0.81 PRSS1 (0.60) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL13830828 0.81 PRSS1 (0.59) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8047329 0.81 PRSS1 (0.63) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL15866799 0.80 PRSS1 (0.55) PRSS1PRSS2PRSS3MAOAMAOB

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
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
WO-2013058824-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2013-04-25 WO disclosed
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 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 (3 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-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A PRSS1 4125/4885PRSS2 4301/4885PRSS3 4028/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 PRSS1 2733/4885PRSS2 2788/4885PRSS3 3354/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 PRSS1 2733/4885PRSS2 2788/4885PRSS3 3354/4885

“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.