SCHEMBL21295049

SCHEMBL21295049

O=Cc1cc2ncccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.52
CXCL8 P10145 1/20 0.47
NOD1 Q9Y239 1/20 0.47
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.40
SLC9A1 P19634 1/20 0.39
SRC P12931 1/20 0.39
GAA P10253 1/20 0.39
ALDH3A1 P30838 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL29847207 1.00 MET (0.52) METCXCL8NOD1RECQLLMNA
SCHEMBL21295075 0.82 MET (0.40) METCXCL8NOD1RECQLLMNA
SCHEMBL29847060 0.82 MET (0.40) METCXCL8NOD1RECQLLMNA
SCHEMBL21147693 0.80 MET (0.58) METCXCL8NOD1RECQLLMNA
SCHEMBL16818826 0.78 NOD1 (0.45) CXCL8NOD1RECQLLMNAALDH1A1
SCHEMBL30276218 0.78 CA12 (0.52) CXCL8NOD1RECQLLMNAALDH1A1
SCHEMBL369194 0.78 CA12 (0.52) CXCL8NOD1RECQLLMNAALDH1A1
SCHEMBL1773227 0.78 CYP2C19 (0.52) METCXCL8NOD1RECQLLMNA
SCHEMBL16795088 0.76 SRC (0.40) METCXCL8NOD1RECQLLMNA
SCHEMBL5833331 0.74 RECQL (0.43) CXCL8NOD1RECQLLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110194770-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-08-09 CN disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 EP disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 EP disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 US disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 US disclosed
CN-110194770-A Peptide acyl arginine deiminase inhibitor and application thereof 南京药捷安康生物科技有限公司 2019-09-03 CN disclosed
WO-2019161803-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-08-29 WO disclosed
WO-2019161803-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-08-29 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 (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-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF PADI4, PADI2, PADI1 MET 3824/4885CXCL8 1642/4885NOD1 1694/4885

“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.