SCHEMBL21295075

SCHEMBL21295075

O=Cc1cc2nccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.39
CXCL8 P10145 1/20 0.38
NOD1 Q9Y239 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
SRC P12931 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTR6 P50406 3/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL29847060 1.00 MET (0.40) METCYP2C19RECQLCXCL8NOD1
SCHEMBL29847207 0.82 MET (0.52) METCYP2C19RECQLCXCL8NOD1
SCHEMBL1773227 0.82 CYP2C19 (0.52) METCYP2C19RECQLCXCL8NOD1
SCHEMBL21295049 0.82 MET (0.52) METCYP2C19RECQLCXCL8NOD1
SCHEMBL26503032 0.79 PTGDR2 (0.44) CYP2C19RECQLPTGDR2SRCHTR6
SCHEMBL20783011 0.79 PTGDR2 (0.46) CYP2C19RECQLPTGDR2SRCALDH1A1
SCHEMBL20765258 0.79 ENPP3 (0.43) CYP2C19RECQLPTGDR2SRCALDH1A1
SCHEMBL2986624 0.79 PTGDR2 (0.40) METCYP2C19RECQLCXCL8NOD1
SCHEMBL29514187 0.79 PTGDR2 (0.40) METCYP2C19RECQLCXCL8NOD1
SCHEMBL13981380 0.79 SRC (0.43) METCYP2C19RECQLCXCL8NOD1

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
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
US-9490405-B2 Light emitting diode device and method for production thereof containing conversion material chemistry SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2016-11-08 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-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF PADI4, PADI2, PADI1 MET 3824/4885CYP2C19 703/4885RECQL 898/4885

“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.