SCHEMBL1484098

SCHEMBL1484098

C=CCN(CC=C)C(O)=S.NC(O)=S.[KH]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CCR6 P51684 1/20 0.33

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
SCHEMBL30904 0.98 CYP1A2 (0.41) CYP1A2ALDH1A1TSHRSMN1; SMN2GRIN2D
SCHEMBL2363225 0.95 CYP1A2 (0.40) CYP1A2ALDH1A1TSHRSMN1; SMN2GRIN2D
Hydrochloric Acid SCHEMBL11788098 0.95 CYP1A2 (0.40) CYP1A2ALDH1A1TSHRSMN1; SMN2GRIN2D
Ammonia Solution, Strong SCHEMBL8733453 0.95 CYP1A2 (0.40) CYP1A2ALDH1A1TSHRSMN1; SMN2GRIN2D
SCHEMBL406319 0.90 CYP1A2 (0.45) CYP1A2ALDH1A1TSHRSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11628599 0.87 CYP1A2 (0.44) CYP1A2ALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL325008 0.77 ALDH1A1 (0.41) CYP1A2ALDH1A1TSHRSMN1; SMN2GRIN2D
SCHEMBL11415997 0.73 ALDH1A1 (0.38) CYP1A2ALDH1A1TSHRSMN1; SMN2GRIN2D
SCHEMBL5979774 0.71 ABCB11 (0.39) CYP1A2ALDH1A1TSHRSMN1; SMN2GRIN2D
SCHEMBL15212888 0.71 ALDH1A1 (0.37) CYP1A2ALDH1A1TSHRSMN1; SMN2GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683370-A1 THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM TISSUES AND FORMULATIONS THEREFOR UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-01-15 EP disclosed
US-8575218-B2 Thiol-containing compounds for the removal of elements from tissues and formulations therefor THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-11-05 US disclosed
WO-2012121798-A2 THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM TISSUES AND FORMULATIONS THEREFOR UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-09-13 WO disclosed
EP-2483239-A2 THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM CONTAMINATED MILIEU AND METHODS OF USE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-08-08 EP disclosed
WO-2011038385-A9 THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM CONTAMINATED MILIEU AND METHODS OF USE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-24 WO disclosed
US-20110160150-A1 THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM TISSUES AND FORMULATIONS THEREFOR THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-06-30 US disclosed
WO-2011038385-A2 THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM CONTAMINATED MILIEU AND METHODS OF USE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-03-31 WO disclosed
US-20110076246-A1 THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM CONTAMINATED MILIEU AND METHODS OF USE HALEY BOYD E 2011-03-31 US disclosed
EP-1355883-A2 NOVEL MULTIDENTATE SULFUR-CONTAINING LIGANDS The University of Kentucky Research Foundation (US) 2003-10-29 EP disclosed
US-6586600-B2 For removing metals from soils, water; pollution control; form stable, irreversible ligand-metal precipitates UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2003-07-01 US disclosed
US-20020100732-A1 Novel multidentate sulfur-containing ligands CHELATOR TECHNOLOGIES, INC. 2002-08-01 US disclosed
WO-2002049967-A2 NOVEL MULTIDENTATE SULFUR-CONTAINING LIGANDS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2002-06-27 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 (2 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-20110160150-A1 THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM TISSUES AND FORMULATIONS THEREFOR SLC39A11, TST, SLC39A14 CYP1A2 1065/4885ALDH1A1 348/4885TSHR 168/4885
US-20110076246-A1 THIOL-CONTAINING COMPOUNDS FOR THE REMOVAL OF ELEMENTS FROM CONTAMINATED MILIEU AND METHODS OF USE TST, MPST, ARSA CYP1A2 2384/4885ALDH1A1 587/4885TSHR 112/4885

“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.