SCHEMBL20378201

SCHEMBL20378201

CS(=O)(=O)c1nccc(C#N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PTGS2 P35354 2/20 0.35
PARP1 P09874 1/20 0.35
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSS P25774 3/20 0.32
PANK3 Q9H999 1/20 0.32
MBOAT4 Q96T53 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
SCHEMBL30362769 0.74 MYC (0.44) CTSKPTGS2CTSSMYC
SCHEMBL1935623 0.74 MYC (0.44) CTSKPTGS2CTSSMYC
SCHEMBL569097 0.74 CTSK (0.41) CTSKNR1H2NR1H3LMNASMN1; SMN2
SCHEMBL1644268 0.73 NR1H2 (0.38) NR1H2NR1H3LMNASMN1; SMN2ALDH1A1
SCHEMBL4138614 0.72 NPSR1 (0.42) PARP1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL1750195 0.72 PARP1 (0.38) PARP1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL30637352 0.72 NPSR1 (0.42) PARP1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL20606050 0.71 LMNA (0.39) PTGS2PARP1LMNASMN1; SMN2ALDH1A1
SCHEMBL22471636 0.71 PARP1 (0.37) PARP1LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL13074743 0.71 PARP1 (0.37) PARP1LMNASMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699006-A 3- ((hetero-) aryl) -8-amino-2-oxo-1, 3-aza-spiro- [4.5] -decane derivative 格吕伦塔尔有限公司 2018-10-23 CN claimed
US-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2018-07-19 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-20180201616-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CTSK 3861/4885NR1H2 303/4885NR1H3 343/4885

“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.