SCHEMBL21295068

SCHEMBL21295068

CCOC(=O)c1cc2ccsc2n1CC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TSHR P16473 10/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 4/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ESR1 P03372 1/20 0.43
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL17560051 0.85 TSHR (0.52) LMNAL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL28833751 0.81 L3MBTL1 (0.43) LMNAL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL21295035 0.81 TSHR (0.51) LMNAL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL23159689 0.80 TSHR (0.50) LMNAL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL21295072 0.79 TSHR (0.48) LMNAL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL17554436 0.79 KDM1A (0.52) LMNAL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL21295047 0.77 TSHR (0.49) LMNAL3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL23052993 0.77 NOD2 (0.64) L3MBTL1TSHRMAPTSMN1; SMN2POLB
SCHEMBL23159699 0.75 ALDH1A1 (0.46) LMNATSHRMAPTSMN1; SMN2TP53
SCHEMBL2428965 0.75 MEN1 (0.46) LMNATSHRMAPTSMN1; SMN2HSD17B10

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 7 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

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 LMNA 3737/4885L3MBTL1 2762/4885TSHR 1154/4885

“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.