SCHEMBL9935773

SCHEMBL9935773

COc1ccc(I)c(B(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ERN1 O75460 1/20 0.40
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL28278769 0.83 ENPP2 (0.48) ENPP2CA1CA2CA12CA7
SCHEMBL29385414 0.77 TUBB4A (0.59) ENPP2CA1CA2CA12CA7
SCHEMBL7238518 0.77 ERN1 (0.55) ENPP2CA1CA2CA12CA7
SCHEMBL518510 0.77 TUBB4A (0.59) ENPP2CA1CA2CA12CA7
SCHEMBL1960037 0.77 ENPP2 (0.50) ENPP2CA1CA2CA12CA7
SCHEMBL29952460 0.77 ERN1 (0.55) ENPP2CA1CA2CA12CA7
SCHEMBL15728767 0.76 LTA4H (0.43) CA1CA2CA12CA7CA9
SCHEMBL3789771 0.75 ALDH1A1 (0.53) ENPP2CA1CA2CA12CA7
SCHEMBL645367 0.75 ENPP2 (0.48) ENPP2CA1CA2CA12CA7
SCHEMBL41499 0.75 ENPP2 (0.48) ENPP2CA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114395057-B Polyacrylamide containing chelating sites, chelating type variable-viscosity slickwater and preparation 中国石油大学(北京) 2022-12-23 CN claimed
CN-114395057-A Polyacrylamide containing chelating sites, chelating type variable-viscosity slickwater and preparation 中国石油大学(北京) 2022-04-26 CN claimed
CN-110155988-B Activation method of carbon nano tube and method for preparing conductive heat-shrinkable tube 上海长园电子材料有限公司 2022-03-08 CN claimed
CN-111995788-B Polymer brush with bacterial responsiveness and preparation method thereof 中国科学院长春应用化学研究所 2021-09-21 CN claimed
CN-111995788-A Polymer brush with bacterial responsiveness and preparation method thereof 中国科学院长春应用化学研究所 2020-11-27 CN claimed
US-20250162982-A1 METHODS OF MANUFACTURING TREPROSTINIL AND TREPROSTINIL DERIVATIVE PRODRUGS INSMED INCORPORATED (US) 2025-05-22 US disclosed
WO-2024145422-A1 SYNTHESIS OF 2-PHENYL-2-AMINO-CYCLOHEXAN-1-ONE DERIVATIVES GILGAMESH PHARMACEUTICALS, INC. (US) 2024-07-04 WO disclosed
US-20230250051-A1 METHODS OF MANUFACTURING TREPROSTINIL AND TREPROSTINIL DERIVATIVE PRODRUGS INSMED INCORPORATED (US) 2023-08-10 US disclosed
CN-114395057-B Polyacrylamide containing chelating sites, chelating type variable-viscosity slickwater and preparation 中国石油大学(北京) 2022-12-23 CN disclosed
CN-114395057-A Polyacrylamide containing chelating sites, chelating type variable-viscosity slickwater and preparation 中国石油大学(北京) 2022-04-26 CN disclosed
CN-110155988-B Activation method of carbon nano tube and method for preparing conductive heat-shrinkable tube 上海长园电子材料有限公司 2022-03-08 CN disclosed
EP-3904326-A1 METHODS OF MANUFACTURING TREPROSTINIL AND TREPROSTINIL DERIVATIVE PRODRUGS Insmed Incorporated (US) 2021-11-03 EP disclosed
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids GREENCENTRE CANADA (CA) 2014-05-22 US disclosed
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids GREENCENTRE CANADA (CA) 2014-05-22 US disclosed
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids GREENCENTRE CANADA (CA) 2014-05-22 US disclosed
US-20140076810-A1 Systems and Methods for Use of Water with Switchable Ionic Strength Greencentre Canaga (US) 2014-03-20 US disclosed
EP-2675816-A1 BORONIC ACID CATALYSTS AND METHODS OF USE THEREOF FOR ACTIVATION AND TRANSFORMATION OF CARBOXYLIC ACIDS The Governors of the University of Alberta (CA) 2013-12-25 EP disclosed
EP-2651992-A1 SYSTEMS AND METHODS FOR USE OF WATER WITH SWITCHABLE IONIC STRENGTH Queen's University At Kingston (CA) 2013-10-23 EP disclosed
WO-2012109749-A1 BORONIC ACID CATALYSTS AND METHODS OF USE THEREOF FOR ACTIVATION AND TRANSFORMATION OF CARBOXYLIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2012-08-23 WO disclosed
WO-2012079175-A1 SYSTEMS AND METHODS FOR USE OF WATER WITH SWITCHABLE IONIC STRENGTH QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-21 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-20230250051-A1 METHODS OF MANUFACTURING TREPROSTINIL AND TREPROSTINIL DERIVATIVE PRODRUGS PTGIS, THOP1, PTGIR ENPP2 246/4885CA1 1313/4885CA2 1826/4885
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids BCAT1, ME1, BCAT2 ENPP2 1712/4885CA1 21/4885CA2 91/4885
US-20250162982-A1 METHODS OF MANUFACTURING TREPROSTINIL AND TREPROSTINIL DERIVATIVE PRODRUGS PTGIS, PTGER1, PTGIR ENPP2 645/4885CA1 1353/4885CA2 1921/4885

“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.