Sugi Predict

Sugi Predict / Compounds / SCHEMBL4901604

SCHEMBL4901604

SCHEMBL4901604

CNS(=O)(=O)c1ccc(SC(C)C)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.50
▸ POLB P06746 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 4/20 0.40
▸ CCR2 P41597 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ SLC6A9 P48067 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37

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
SCHEMBL2824600 0.84 LMNA (0.55) CA2POLBKDM4ELMNAKMT2A
SCHEMBL19119211 0.75 POLB (0.59) POLBL3MBTL1KDM4ELMNAKMT2A
SCHEMBL2825786 0.75 ALDH1A1 (0.62) CA2POLBL3MBTL1KDM4ELMNA
SCHEMBL13619117 0.74 LMNA (0.41) POLBL3MBTL1KDM4ELMNAKMT2A
SCHEMBL3874483 0.74 MAPK1 (0.46) POLBL3MBTL1KDM4ELMNAKMT2A
SCHEMBL30602792 0.74 LMNA (0.45) CA2POLBL3MBTL1KDM4ELMNA
SCHEMBL12225751 0.74 HSD17B10 (0.54) CA2POLBL3MBTL1KDM4ELMNA
SCHEMBL29602365 0.74 CYP3A4 (0.52) CA2POLBL3MBTL1KDM4ELMNA
SCHEMBL13543494 0.74 CYP3A4 (0.52) CA2POLBL3MBTL1KDM4ELMNA
SCHEMBL4844487 0.74 KMT2A (0.50) CA2POLBL3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2008-11-20 — — US disclosed
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2008-11-20 — — US disclosed
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2008-11-20 — — US disclosed
EP-1836178-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. Hoffmann-Roche AG (CH) 2007-09-26 — — EP disclosed
WO-2006072435-A1 SULFANYL SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-13 — — WO disclosed
US-20060149062-A1 Sulfanyl substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 — — 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 (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-20060149062-A1 Sulfanyl substituted phenyl methanones SULT1A1, SULT2A1, SULT1E1 CA2 2810/4885POLB 3437/4885L3MBTL1 968/4885
US-20080287455-A1 SULFANYL SUBSTITUTED PHENYL METHANONES SULT1A1, SULT2A1, SULT1E1 CA2 2810/4885POLB 3437/4885L3MBTL1 968/4885

“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.