SCHEMBL13830552

SCHEMBL13830552

NCc1ccc(F)c(C2CCN(C(=O)c3cccc4ccc(B(O)O)cc34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 12/20 0.47
KCNH2 Q12809 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CHRM2 P08172 2/20 0.40

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
SCHEMBL15780830 0.85 TPSAB1 (0.47) TPSAB1KCNH2CYP2C9CYP2C19CHRM2
SCHEMBL13830406 0.85 TPSAB1 (0.49) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL1668576 0.85 TPSAB1 (0.56) TPSAB1
SCHEMBL13830358 0.80 TPSAB1 (0.60) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL1668745 0.77 TPSAB1 (0.56) TPSAB1
SCHEMBL15780758 0.76 TPSAB1 (0.57) TPSAB1
SCHEMBL15782155 0.76 MGLL (0.41) TPSAB1KCNH2CYP2C9CYP2C19CHRM2
SCHEMBL15985190 0.73 TPSAB1 (0.45) TPSAB1
SCHEMBL13830926 0.73 PRSS1 (0.56)
SCHEMBL14756957 0.72 TPSAB1 (0.46) TPSAB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CORNELL UNIVERSITY (US) 2024-04-30 US disclosed
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-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-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
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 (4 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-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CALCOCO2, MDN1, MBNL1 TPSAB1 4475/4885KCNH2 4805/4885CYP2C9 4859/4885
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A TPSAB1 4825/4885KCNH2 4298/4885CYP2C9 3954/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 TPSAB1 4475/4885KCNH2 4805/4885CYP2C9 4859/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 TPSAB1 4475/4885KCNH2 4805/4885CYP2C9 4859/4885

“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.