SCHEMBL1489334

SCHEMBL1489334

CCC(CCS(N)(=O)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCLC P48506 2/20 0.53
CA2 P00918 3/20 0.52
MAPK1 P28482 1/20 0.52
SLC1A2 P43004 4/20 0.45
SLC1A1 P43005 4/20 0.45
SLC1A3 P43003 3/20 0.45
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRIK1 P39086 3/20 0.38
GRIK2 Q13002 3/20 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
SCHEMBL27476291 0.78 GCLC (0.36) GCLCCA2CA1CA7CA14
SCHEMBL125406 0.77 CA2 (0.71) GCLCCA2MAPK1SLC1A2SLC1A1
SCHEMBL14611452 0.74 GABRR1 (0.54) GCLCPMP22ENPEP
SCHEMBL18215380 0.73 CA2 (0.61) GCLCCA2MAPK1SLC1A2SLC1A1
SCHEMBL7873489 0.73 PMP22 (0.59) GCLCSLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL3468548 0.73 PMP22 (0.59) GCLCSLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL1062745 0.73
SCHEMBL184958 0.72
SCHEMBL14666039 0.72
SCHEMBL14360108 0.72 CA2 (0.81) GCLCCA2MAPK1SLC1A2SLC1A1

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 19 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-20140094455-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE ARIZONA BOARD OF REAGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-04-03 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-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
EP-2086329-A2 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE Flynn, Gary A. (US) 2009-08-12 EP disclosed
EP-2086329-A2 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE Flynn, Gary A. (US) 2009-08-12 EP 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
WO-2008052190-A3 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE FLYNN GARY A (US) 2008-08-28 WO disclosed
WO-2008052190-A2 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE FLYNN GARY A (US) 2008-05-02 WO disclosed
WO-2008052190-A2 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE FLYNN GARY A (US) 2008-05-02 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-20140094455-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE AQP1, AQP4, AQP3 GCLC 723/4885CA2 168/4885MAPK1 2873/4885
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 GCLC 729/4885CA2 12/4885MAPK1 4140/4885
US-20150224108-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE AQP1, AQP4, AQP3 GCLC 723/4885CA2 168/4885MAPK1 2873/4885
US-20110172195-A1 AQUAPORIN MODULATORS AND METHODS OF USING THEM FOR THE TREATMENT OF EDEMA AND FLUID IMBALANCE AQP1, AQP4, AQP3 GCLC 723/4885CA2 168/4885MAPK1 2873/4885

“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.