SCHEMBL4573544

SCHEMBL4573544

CN(C)S(=O)(=O)NC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CRBN Q96SW2 1/20 0.32
TSHR P16473 2/20 0.32
NFKB1 P19838 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
THPO P40225 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL9244851 0.78 CA1 (0.32) CA2CA1F2PRSS1PRSS2
SCHEMBL26607884 0.76 CA1 (0.50) CA2CA1F2PRSS1PRSS2
SCHEMBL14615842 0.76 CA2 (0.50) CA2CA1F2PRSS1PRSS2
SCHEMBL22203308 0.74 CA1 (0.48) CA2CA1ALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL5498552 0.74 CA2 (0.48) CA2CA1ALDH1A1HPGDMEN1
SCHEMBL12478349 0.73 CA1 (0.42) CA2CA1F2PRSS1PRSS2
SCHEMBL19271825 0.72 CA1 (0.46) CA2CA1ALDH1A1HPGDMEN1
SCHEMBL3879114 0.72 CA12 (0.30) CA1
SCHEMBL92830 0.70 CA1 (0.44) CA2CA1ALDH1A1HPGDMEN1
SCHEMBL9911480 0.70 CA1 (0.44) CA2CA1ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME INFLAZOME LIMITED (IE) 2018-02-15 US disclosed
CN-103936762-B Morpholine quinolines, Preparation Method And The Use SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY Co.,Ltd. (CN) 2016-02-24 CN disclosed
CN-103936762-A Morpholinoquinoline compound, preparation method and applications thereof SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO LTD 2014-07-23 CN disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ CA2 413/4885CA1 573/4885F2 1609/4885
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP CA2 2434/4885CA1 4141/4885F2 4840/4885

“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.