SCHEMBL12418652

SCHEMBL12418652

COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1NCc1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 1.00
APP P05067 9/20 0.77
TEX264 Q9Y6I9 1/20 0.61
ALDH1A1 P00352 3/20 0.59
POLB P06746 2/20 0.59
TSHR P16473 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA6 P23280 3/20 0.59
CA5A P35218 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
CA5B Q9Y2D0 3/20 0.59
CISD1 Q9NZ45 2/20 0.59
HTR1A P08908 1/20 0.59
CA4 P22748 1/20 0.59

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
SCHEMBL12418656 0.90 AQP1 (0.82) AQP1APPTEX264ALDH1A1POLB
SCHEMBL12418649 0.87 APP (1.00) AQP1APPTEX264ALDH1A1POLB
SCHEMBL22852445 0.86 APP (0.78) AQP1APPTEX264ALDH1A1POLB
SCHEMBL12418654 0.86 APP (0.76) AQP1APPTEX264ALDH1A1POLB
SCHEMBL14064583 0.85 AQP1 (0.74) AQP1APPTEX264ALDH1A1POLB
SCHEMBL22852444 0.85 APP (0.82) AQP1APPTEX264ALDH1A1POLB
SCHEMBL230392 0.84 APP (0.79) AQP1APPTEX264ALDH1A1POLB
SCHEMBL12418648 0.82 APP (0.76) AQP1APPTEX264ALDH1A1POLB
SCHEMBL22852414 0.82 APP (0.74) AQP1APPTEX264ALDH1A1POLB
SCHEMBL20369158 0.81 APP (0.81) AQP1APPTEX264ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9248131-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-02 US disclosed
US-9248131-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-02 US disclosed
US-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE UNIV ARIZONA STATE (US) 2015-08-13 US disclosed
US-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE UNIV ARIZONA STATE (US) 2015-08-13 US disclosed
US-8835491-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-09-16 US disclosed
US-8835491-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-09-16 US disclosed
EP-2086329-B1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE UNIV ARIZONA STATE (US) 2014-07-23 EP disclosed
US-20110172195-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE ARIZONA BOARD OF REG. ON BEHALF OF THE UNIV. OF AZ (US) 2011-07-14 US disclosed
US-20110172195-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE ARIZONA BOARD OF REG. ON BEHALF OF THE UNIV. OF AZ (US) 2011-07-14 US disclosed
US-7906555-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2011-03-15 US disclosed
US-7906555-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2011-03-15 US disclosed
US-20080221169-A1 3-carboxy aryl sulfonamide compounds, which agonize or antagonize aquaporin channels; brain trauma, head trauma, eye disorder, pulmonary disorder, lung disease, vascular disease, kidney disease, heavy metal toxicity, Alzheimer's disease, tumor, and cancer ARIZONA BOARD OF REG. ON BEHALF OF THE UNIV. OF AZ (US) 2008-09-11 US disclosed
US-20080221169-A1 3-carboxy aryl sulfonamide compounds, which agonize or antagonize aquaporin channels; brain trauma, head trauma, eye disorder, pulmonary disorder, lung disease, vascular disease, kidney disease, heavy metal toxicity, Alzheimer's disease, tumor, and cancer ARIZONA BOARD OF REG. ON BEHALF OF THE UNIV. OF AZ (US) 2008-09-11 US 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-20080221169-A1 3-carboxy aryl sulfonamide compounds, which agonize or antagonize aquaporin channels; brain trauma, head trauma, eye disorder, pulmonary disorder, lung disease, vascular disease, kidney disease, heavy metal toxicity, Alzheimer's disease, tumor, and cancer AQP4, AQP3, AQP1 AQP1 3/4885APP 262/4885TEX264 1417/4885
US-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE AQP1, AQP4, AQP3 AQP1 1/4885APP 4205/4885TEX264 1305/4885
US-20110172195-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE AQP1, AQP4, AQP3 AQP1 1/4885APP 4205/4885TEX264 1305/4885

“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.