SCHEMBL21295072

SCHEMBL21295072

CCOC(=O)c1cc2ccsc2n1CC1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 3/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ATM Q13315 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.42
USP2 O75604 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL21295047 0.95 TSHR (0.49) TSHRL3MBTL1SMN1; SMN2TP53POLB
SCHEMBL17560051 0.84 TSHR (0.52) TSHRL3MBTL1SMN1; SMN2TP53POLB
SCHEMBL28538325 0.82 NOTUM (0.41) TSHRL3MBTL1SMN1; SMN2TP53POLB
SCHEMBL21295092 0.81 ALDH1A1 (0.43) TSHRSMN1; SMN2TP53POLBHSD17B10
SCHEMBL21295035 0.80 TSHR (0.51) TSHRL3MBTL1SMN1; SMN2TP53POLB
SCHEMBL23159624 0.80 ALDH1A1 (0.39) TSHRSMN1; SMN2TP53HSD17B10KDM4E
SCHEMBL23159601 0.80 CNR2 (0.38) TSHRSMN1; SMN2TP53POLBHSD17B10
SCHEMBL23159689 0.79 TSHR (0.50) TSHRL3MBTL1SMN1; SMN2TP53POLB
SCHEMBL21295068 0.79 LMNA (0.48) TSHRL3MBTL1SMN1; SMN2TP53POLB
SCHEMBL23159694 0.78 CNR2 (0.37) TSHRSMN1; SMN2TP53POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574230-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-10-28 CN disclosed
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
WO-2021057910-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2021-04-01 WO disclosed
WO-2021057910-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2021-04-01 WO disclosed
CN-112574230-A Peptidyl arginine deiminase inhibitors and uses thereof 南京药捷安康生物科技有限公司 2021-03-30 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

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 TSHR 1154/4885L3MBTL1 2762/4885SMN1; SMN2 3915/4885

“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.