SCHEMBL13830752

SCHEMBL13830752

COC(=O)c1cccc(NCc2ccccc2B(O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.62
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 3/20 0.51
HIF1A Q16665 3/20 0.51
NOX4 Q9NPH5 1/20 0.48
POLB P06746 1/20 0.48
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
CASR P41180 1/20 0.46
ALOX5 P09917 1/20 0.46
NPC1 O15118 1/20 0.46
SENP1 Q9P0U3 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL13830817 0.85 CA1 (0.62) EGFRRAB9AHIF1ANOX4POLB
SCHEMBL14898347 0.78 EGFR (0.51) EGFRMAPK1HIF1ANOX4ALDH1A1
SCHEMBL24274961 0.77 MAPT (0.68) HSD17B10RAB9APOLBALDH1A1HPGD
SCHEMBL13738271 0.76 MAPT (0.47) RAB9AHIF1AALDH1A1HPGDCYP1A2
SCHEMBL30445248 0.75 RAB9A (0.59) EGFRMAPK1HSD17B10RAB9AHIF1A
SCHEMBL25174147 0.75 RAB9A (0.59) EGFRMAPK1HSD17B10RAB9AHIF1A
SCHEMBL13830866 0.74 KDM4E (0.42) MAPK1HSD17B10RAB9AALDH1A1HPGD
SCHEMBL1179448 0.74 EGFR (0.59) EGFRMAPK1HSD17B10RAB9AHIF1A
SCHEMBL23518403 0.74 RAB9A (0.59) EGFRMAPK1HSD17B10RAB9AHIF1A
SCHEMBL26085708 0.74 CFD (0.53) HPGD

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 EGFR 455/4885MAPK1 3316/4885HSD17B10 2940/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 EGFR 2991/4885MAPK1 1503/4885HSD17B10 4404/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 EGFR 2991/4885MAPK1 1503/4885HSD17B10 4404/4885

“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.