SCHEMBL21295035

SCHEMBL21295035

CCOC(=O)c1cc2ccsc2n1CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.51
POLB P06746 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 4/20 0.46
RECQL P46063 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ESR1 P03372 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43

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 0.87 TSHR (0.52) TSHRPOLBHSD17B10KDM4EL3MBTL1
SCHEMBL23159689 0.81 TSHR (0.50) TSHRPOLBHSD17B10KDM4EL3MBTL1
SCHEMBL21295068 0.81 LMNA (0.48) TSHRPOLBHSD17B10KDM4EL3MBTL1
SCHEMBL21295072 0.80 TSHR (0.48) TSHRPOLBHSD17B10KDM4EL3MBTL1
SCHEMBL17554436 0.80 KDM1A (0.52) TSHRPOLBHSD17B10KDM4EL3MBTL1
SCHEMBL21295047 0.78 TSHR (0.49) TSHRPOLBHSD17B10KDM4EL3MBTL1
SCHEMBL4284766 0.75 NOD2 (0.54) TSHRPOLBHSD17B10KDM4ESMN1; SMN2
SCHEMBL21684702 0.73 ALDH1A1 (0.48) TSHRPOLBHSD17B10KDM4ESMN1; SMN2
SCHEMBL4283826 0.72 KMT2A (0.51) TSHRPOLBHSD17B10KDM4ESMN1; SMN2
SCHEMBL1242727 0.72 TSHR (0.41) TSHRPOLBHSD17B10KDM4EL3MBTL1

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 TSHR 1154/4885POLB 544/4885HSD17B10 2343/4885

“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.