SCHEMBL5669237

SCHEMBL5669237

CCC(C(=O)S)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 3/20 0.44
KCNA5 P22460 4/20 0.44
KCNH2 Q12809 1/20 0.44
TSHR P16473 3/20 0.42
CYP2D6 P10635 1/20 0.41
KCNE1 P15382 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4120034 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19MEN1GAA
SCHEMBL2680153 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C19MEN1GAA
SCHEMBL6196919 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C19MEN1GAA
SCHEMBL28762519 0.83 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C19MEN1GAA
SCHEMBL18601246 0.83 KCNA5 (0.44) ALDH1A1CYP1A2CYP2C19MEN1GAA
SCHEMBL31741261 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19MEN1GAA
SCHEMBL2432679 0.83 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19MEN1GAA
SCHEMBL27884566 0.78 CYP2C19 (0.50) ALDH1A1CYP1A2CYP2C19MEN1GAA
SCHEMBL5669240 0.77 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19MEN1GAA
SCHEMBL4389584 0.77 CYP3A4 (0.60) ALDH1A1CYP1A2CYP2C19MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686116-B1 PROCESS FOR PRODUCTION OF PYRIDYLETHYLTHIO COMPOUNDS, MODIFIED ION EXCHANGERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF BISPHENOLS MITSUBISHI CHEM CORP (JP) 2018-02-14 EP claimed
EP-1686116-B1 PROCESS FOR PRODUCTION OF PYRIDYLETHYLTHIO COMPOUNDS, MODIFIED ION EXCHANGERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF BISPHENOLS MITSUBISHI CHEM CORP (JP) 2018-02-14 EP disclosed
US-8344152-B2 Process for producing pyridylethylthio compound, modified ion exchanger and process for producing the same, and process for producing bisphenol compound MITSUBISHI CHEMICAL CORPORATION (JP) 2013-01-01 US disclosed
EP-1686116-A1 PROCESS FOR PRODUCTION OF PYRIDYLETHYLTHIO COMPOUNDS, MODIFIED ION EXCHANGERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF BISPHENOLS Mitsubishi Chemical Corporation (JP) 2006-08-02 EP disclosed
US-20060041145-A1 Process for producing pyridylethylthio compound, modified ion exchanger and process for producing the same, and process for producing bisphenol compound MITSUBISHI CHEMICAL CORPORATION (JP) 2006-02-23 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 (1 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-20060041145-A1 Process for producing pyridylethylthio compound, modified ion exchanger and process for producing the same, and process for producing bisphenol compound PAH, SLC19A2, PLPBP ALDH1A1 1253/4885CYP1A2 186/4885CYP2C19 244/4885

“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.