SCHEMBL15780845

SCHEMBL15780845

NCc1cccc(C2CCN(C(=O)c3ccc4oc(B(O)O)cc4c3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 10/20 0.48
F10 P00742 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL1668929 0.82 TPSAB1 (0.55) TPSAB1
SCHEMBL13835359 0.81 TPSAB1 (0.48) TPSAB1F10CYP3A4CYP2D6KCNH2
SCHEMBL15981354 0.81 TPSAB1 (0.55) TPSAB1CYP3A4CYP2D6KCNH2PARP10
SCHEMBL15981356 0.80 TPSAB1 (0.54) TPSAB1CYP3A4CYP2D6KCNH2PARP10
SCHEMBL15780790 0.80 TPSAB1 (0.55) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL15780755 0.79 TPSAB1 (0.48) TPSAB1F10CYP3A4CYP2D6KCNH2
SCHEMBL15780858 0.79 TPSAB1 (0.49) TPSAB1F10CYP3A4CYP2D6KCNH2
SCHEMBL15780794 0.79 TPSAB1 (0.52) TPSAB1
SCHEMBL15780767 0.79 TPSAB1 (0.48) TPSAB1F10CYP3A4CYP2D6KCNH2
SCHEMBL15780766 0.79 TPSAB1 (0.48) TPSAB1F10CYP3A4CYP2D6KCNH2

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 3 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

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 TPSAB1 4825/4885F10 104/4885CYP3A4 2264/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 TPSAB1 4475/4885F10 734/4885CYP3A4 4806/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 TPSAB1 4475/4885F10 734/4885CYP3A4 4806/4885

“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.