SCHEMBL1690441

SCHEMBL1690441

OB(O)c1cc(CBr)cc(CBr)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.41
LPL P06858 5/20 0.36
LIPG Q9Y5X9 5/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
TSHR P16473 2/20 0.35
F11 P03951 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
TRPA1 O75762 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6699947 0.84 LPL (0.38) ENPP2LPLLIPGCA1CA2
SCHEMBL10137263 0.80 BCHE (0.39) ENPP2
SCHEMBL723106 0.77 ENPP2 (0.67) ENPP2LPLLIPGTSHRF11
SCHEMBL331501 0.76 TRPA1 (0.47) TSHRALDH1A1TRPA1
SCHEMBL3781044 0.76 ENPP2 (0.60) ENPP2LPLLIPGCA1CA2
SCHEMBL40256 0.74 LPL (0.58) ENPP2LPLLIPGCA1CA2
SCHEMBL28378199 0.74 ENPP2 (0.41) ENPP2LPLLIPGCA1CA2
SCHEMBL3791528 0.74 LPL (0.58) ENPP2LPLLIPGCA1CA2
SCHEMBL806837 0.69 ENPP2 (0.47) ENPP2LPLLIPGCA1CA2
SCHEMBL1229742 0.69 ACHE (0.48) ENPP2TSHRALDH1A1TRPA1KDM4E

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951503-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 US disclosed
US-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-8394357-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 US disclosed
US-7968714-B2 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-28 US disclosed
EP-2259061-A2 Boronic acid derivatives The Regents of The University of California (US) 2010-12-08 EP disclosed
EP-1960779-B1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS-II UNIV CALIFORNIA (US) 2010-08-25 EP disclosed
US-20090148344-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20090148956-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS SINGARAM BAKTHAN 2009-06-11 US disclosed
US-20040028612-A1 Optical determination of glucose utilizing boronic acid adducts REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-02-12 US disclosed
US-6653141-B2 In vitro detection of polyhydroxyl-substituted organic molecules; obtain sample, incubate in fluorescent dye exposure to excitation light detect and measure signal THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-11-25 US disclosed
US-6627177-B2 Obtaining flurorophore dye which is compatible with the analyte solution; combining withboronic acid-containing quencher molecule; contacting with excitation light source coupled with a detector; producing signal; quantification THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-09-30 US disclosed
EP-1340076-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS The Regents of the University of California (US) 2003-09-03 EP disclosed
WO-2002057273-A9 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LTD (GB) 2002-11-28 WO disclosed
WO-2002046752-A9 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS UNIV CALIFORNIA (US) 2002-08-29 WO disclosed
US-20020106326-A1 Polyhydroxyl-substituted organic molecule sensing optical in vivo method utilizing a boronic acid adduct and the device thereof CALIFORNIA, UNIVERSITY OF THE REGENTS OF THE 2002-08-08 US disclosed
US-20020106810-A1 Polyhydroxyl-substituted organic molecule sensing optical in vitro method utilizing a boronic acid adduct and the device thereof REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2002-08-08 US disclosed
WO-2002057273-A1 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LIMITED (GB) 2002-07-25 WO disclosed
WO-2002046752-A2 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-06-13 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-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB ENPP2 3653/4885LPL 3480/4885LIPG 1898/4885
US-20040028612-A1 Optical determination of glucose utilizing boronic acid adducts NISCH, BLVRB, FOSB ENPP2 3886/4885LPL 3358/4885LIPG 1681/4885
US-20090149656-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB ENPP2 3653/4885LPL 3480/4885LIPG 1898/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB ENPP2 3653/4885LPL 3480/4885LIPG 1898/4885

“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.