SCHEMBL2786252

SCHEMBL2786252

Nc1ccc(F)c(B(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ENPP2 Q13822 1/20 0.40
CASP1 P29466 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
PDE10A Q9Y233 1/20 0.37
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL29517809 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EENPP2CASP1CYP3A4
Hydrochloric Acid SCHEMBL29951492 0.98 ALDH1A1 (0.39) ALDH1A1KDM4EENPP2CASP1CYP3A4
SCHEMBL1702676 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EENPP2CASP1CYP3A4
SCHEMBL29631566 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EENPP2CASP1CYP3A4
SCHEMBL28824845 0.77
SCHEMBL4963 0.76 CA3 (0.48) ALDH1A1
SCHEMBL29406861 0.76 CA3 (0.48) ALDH1A1
Hydrochloric Acid SCHEMBL7248645 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EENPP2CASP1CYP3A4
SCHEMBL28730410 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EENPP2CASP1CYP3A4
SCHEMBL3328437 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EENPP2CASP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10088476-B2 Volume response sensors having analyte controlled reversible crosslinking THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-10-02 US claimed
US-20160252505-A1 VOLUME RESPONSE SENSORS HAVING ANALYTE CONTROLLED REVERSIBLE CROSSLINKING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI S (US) 2016-09-01 US claimed
WO-2015053975-A1 VOLUME RESPONSE SENSORS HAVING CONTROLLED REVERSIBLE CROSSLINKING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-16 WO claimed
US-20080214912-A1 Blood Glucose Monitoring System And Method GLUCOSE SENSING TECHNOLOGIES, LLC (US) 2008-09-04 US claimed
WO-2025108234-A1 COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦药物研究院有限公司 2025-05-30 WO disclosed
CN-119954784-A Compound, preparation method and application thereof 四川科伦药物研究院有限公司 2025-05-09 CN disclosed
CN-119504808-A Compound, preparation method and application thereof 四川科伦药物研究院有限公司 2025-02-25 CN disclosed
CN-118994567-A Preparation and application of novel pH and glucose dual-response polymer and hydrogel 南京工业大学 2024-11-22 CN disclosed
US-20240174660-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-05-30 US disclosed
US-11905281-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2024-02-20 US disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-20110050431-A1 Beverage containers with detection capability GEARBOX, LLC 2011-03-03 US disclosed
WO-2010072712-A1 BIARYL BENZYLAMINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 WO disclosed
US-20100168079-A1 Biaryl Benzylamine Derivatives ANGST DANIELA 2010-07-01 US disclosed
US-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-04 US disclosed
US-20080214912-A1 Blood Glucose Monitoring System And Method GLUCOSE SENSING TECHNOLOGIES, LLC (US) 2008-09-04 US disclosed
US-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PASS MARTIN 2008-02-28 US disclosed
EP-1778681-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006005918-A1 2, 4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-01-19 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 (6 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-20240174660-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885KDM4E 4105/4885ENPP2 698/4885
US-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 ALDH1A1 3228/4885KDM4E 3709/4885ENPP2 826/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885KDM4E 4105/4885ENPP2 698/4885
US-11905281-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885KDM4E 4105/4885ENPP2 698/4885
US-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB ALDH1A1 2649/4885KDM4E 1370/4885ENPP2 672/4885
US-20100168079-A1 Biaryl Benzylamine Derivatives BRD3, BRD2, BBOX1 ALDH1A1 1314/4885KDM4E 1108/4885ENPP2 1713/4885

“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.