SCHEMBL21295062

SCHEMBL21295062

CC(C)Cn1c(C=O)cc2ccsc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.33
LMNA P02545 4/20 0.33
TSHR P16473 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 7/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 4/20 0.33
GAA P10253 3/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
KDM4E B2RXH2 3/20 0.33
PDE7A Q13946 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP2A6 P11509 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL22855791 0.85 ALDH1A1 (0.33) L3MBTL1LMNATSHRSMN1; SMN2MAPT
SCHEMBL21295055 0.83 L3MBTL1 (0.35) L3MBTL1LMNATSHRSMN1; SMN2MAPT
SCHEMBL23159726 0.77 ADORA2B (0.40) L3MBTL1LMNATSHRSMN1; SMN2MAPT
SCHEMBL21295088 0.76 L3MBTL1 (0.33) L3MBTL1LMNATSHRSMN1; SMN2MAPT
SCHEMBL21295057 0.75 TSHR (0.33) L3MBTL1LMNATSHRSMN1; SMN2MAPT
SCHEMBL21295040 0.74 ALDH1A1 (0.36) L3MBTL1LMNATSHRSMN1; SMN2MAPT
SCHEMBL21295089 0.74 FEN1 (0.36) L3MBTL1LMNATSHRTP53HPGD
SCHEMBL18258148 0.72 L3MBTL1 (0.41) L3MBTL1LMNATSHRSMN1; SMN2MAPT
SCHEMBL21295035 0.70 TSHR (0.51) L3MBTL1LMNATSHRSMN1; SMN2MAPT
SCHEMBL20839952 0.68 CCR2 (0.40) L3MBTL1LMNATSHRSMN1; SMN2ALDH1A1

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 L3MBTL1 2762/4885LMNA 3737/4885TSHR 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.