SCHEMBL21295073

SCHEMBL21295073

O=S(=O)(c1ccccc1)n1ccc2nccnc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.65
CYP2C19 P33261 1/20 0.65
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR6 P50406 7/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL29847193 1.00 MET (0.65) METCYP2C19PKML3MBTL1HTR6
SCHEMBL29605504 0.84 L3MBTL1 (0.65) METCYP2C19PKML3MBTL1ALDH1A1
SCHEMBL28223293 0.84 L3MBTL1 (0.65) METCYP2C19PKML3MBTL1ALDH1A1
SCHEMBL1773294 0.79 CYP2C19 (1.00) METCYP2C19PKML3MBTL1HTR6
SCHEMBL29847431 0.79 MET (1.00) METCYP2C19HTR6MEN1ALDH1A1
SCHEMBL3705420 0.79 MET (1.00) METCYP2C19HTR6MEN1ALDH1A1
SCHEMBL15465766 0.77 CYP2C19 (0.54) METCYP2C19PKML3MBTL1HTR6
SCHEMBL24670234 0.75 MET (0.47) METCYP2C19PKML3MBTL1HTR6
SCHEMBL16593261 0.75 MET (0.58) METCYP2C19L3MBTL1HTR6MEN1
SCHEMBL414843 0.75 CYP2C19 (0.58) METCYP2C19PKML3MBTL1HTR6

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 9 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
CN-102584830-A Dihydroindene amide compounds, and medicinal composition and application thereof BEIJING SAILINTAI PHARMACEUTICAL TECHNOLOGY CO LTD 2012-07-18 CN 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 703/4885PKM 312/4885

“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.