SCHEMBL5669159

SCHEMBL5669159

CC(=O)SCC(C)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.41
ACE P12821 2/20 0.41
CYP19A1 P11511 4/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP17A1 P05093 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11941176 0.81 ACE (0.54) MMEACE
SCHEMBL26512257 0.79 MME (0.36) MMEACECYP19A1TSHRCYP3A4
SCHEMBL5668771 0.76 USP2 (0.40) ALDH1A1TSHR
SCHEMBL1677568 0.72 FFAR1 (0.54) CYP19A1ALDH1A1TSHRL3MBTL1
SCHEMBL16130561 0.71 ACACB (0.49) TSHR
SCHEMBL1678301 0.70 ACHE (0.41) CYP19A1MAOAMAOBPTGS2ALDH1A1
SCHEMBL23895485 0.70 GRM8 (0.49)
SCHEMBL11166356 0.70 AOC3 (0.37) CYP19A1MAOAMAOBPTGS2ALDH1A1
SCHEMBL7438505 0.70 CYP1A2 (0.45) MMEALDH1A1CYP3A4CYP2C19
SCHEMBL7255778 0.70 CYP3A4 (0.43) CYP19A1CYP3A4CYP2C19CYP17A1

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 4 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 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 MME 4825/4885ACE 4417/4885CYP19A1 396/4885

“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.