SCHEMBL4460221

SCHEMBL4460221

CN(Cc1ccccc1B(O)O)Cc1c2ccccc2cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 2/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
HTR2A P28223 2/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
ADRA2A P08913 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL1839968 0.89 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL24274700 0.84 CYP2D6 (0.44) CYP2D6CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL21579184 0.84 CYP2D6 (0.47) CYP2D6CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL20362787 0.83 CYP2D6 (0.74) CYP2D6CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL17013838 0.83 CYP1A2 (0.48) CYP2D6CYP1A2CYP2C19CYP2C9HSD17B10
SCHEMBL21143034 0.82 CYP2D6 (0.42) CYP2D6CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL17013844 0.82 ALDH1A1 (0.47) CYP2D6CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL13990680 0.80 CYP2D6 (0.41) CYP2D6CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL976289 0.78 ALDH1A1 (0.39) CYP2D6CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL20312980 0.78 CYP1A2 (0.36) CYP2D6CYP1A2CYP2C19CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635595-B2 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R 2009-12-22 US disclosed
US-7635595-B2 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R 2009-12-22 US disclosed
US-20080299666-A1 Novel Peptide-Based Borono-Lectin (PBL) Sensors UNIVERSITY OF SOUTH CAROLINA (US) 2008-12-04 US disclosed
US-20080299666-A1 Novel Peptide-Based Borono-Lectin (PBL) Sensors UNIVERSITY OF SOUTH CAROLINA (US) 2008-12-04 US disclosed
US-20050158245-A1 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R (US) 2005-07-21 US disclosed
US-6804544-B2 GLUCOSE MEASUREMENT MINIMED, INC. 2004-10-12 US disclosed
EP-0862648-B1 DETECTION OF BIOLOGICAL MOLECULES USING CHEMICAL AMPLIFICATION AND OPTICAL SENSORS MEDTRONIC MINIMED INC (US) 2004-10-06 EP disclosed
US-6750311-B1 CONCENTRATION OF BLOOD GLUCOSE; BORONATE COMPLEX WITH A FLUORESCENT DYE; POLYURETHANE OR POLYUREA BIOCOMPATABLE MATRIX BY REACTION OF A DIISOCYANATE WITH A POLYMERIC DIOL OR POLYMERIC DIAMINE MINIMED INC. 2004-06-15 US disclosed
US-20040087842-A1 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R (US) 2004-05-06 US disclosed
US-20020018843-A1 Detection of biological molecules using chemical amplification and optical sensors MINIMED INC. 2002-02-14 US disclosed
US-6319540-B1 IMMOBILIZING BORONIC ACID MOIETY IN SOLID SUPPORT BY ATTACHING TO A POLYMER MATRIX MINIMED INC. 2001-11-20 US disclosed
US-6011984-A Detection of biological molecules using chemical amplification and optical sensors MINIMED INC. (US) 2000-01-04 US disclosed
US-6002954-A IMPLANTABLE AMPLIFICATION SYSTEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-12-14 US disclosed
WO-1998022820-A9 DETECTION OF BIOLOGICAL MOLECULES USING BORONATE-BASED CHEMICAL AMPLIFICATION AND OPTICAL SENSORS 1998-09-11 WO disclosed
EP-0862648-A1 DETECTION OF BIOLOGICAL MOLECULES USING CHEMICAL AMPLIFICATION AND OPTICAL SENSORS Minimed Inc. (US) 1998-09-09 EP disclosed
WO-1998022820-A1 DETECTION OF BIOLOGICAL MOLECULES USING BORONATE-BASED CHEMICAL AMPLIFICATION AND OPTICAL SENSORS LAWRENCE LIVERMORE NATIONAL LABORATORY (US) 1998-05-28 WO disclosed
WO-1997019188-A1 DETECTION OF BIOLOGICAL MOLECULES USING CHEMICAL AMPLIFICATION AND OPTICAL SENSORS MINIMED, INC. (US) 1997-05-29 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-20050158245-A1 Fluorescent probes for saccharrides H1-3, H1-0, H1-2 CYP2D6 2616/4885CYP1A2 4384/4885CYP2C19 4664/4885
US-20080299666-A1 Novel Peptide-Based Borono-Lectin (PBL) Sensors LGALS3BP, LGALS1, BCAP31 CYP2D6 4655/4885CYP1A2 4844/4885CYP2C19 4751/4885
US-20040087842-A1 Fluorescent probes for saccharrides ST6GAL1, SLC5A1, CA6 CYP2D6 1936/4885CYP1A2 4250/4885CYP2C19 4725/4885

“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.