SCHEMBL21295046

SCHEMBL21295046

OCc1cc2ccsc2n1CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL21307282 0.79 TSHR (0.37) L3MBTL1LMNAMAPTTSHRTP53
SCHEMBL21295040 0.75 ALDH1A1 (0.36) L3MBTL1LMNAMAPTTSHRTP53
SCHEMBL21295088 0.74 L3MBTL1 (0.33) L3MBTL1LMNAMAPTTSHRTP53
SCHEMBL21295037 0.74 TSHR (0.33) L3MBTL1LMNAMAPTTSHRTP53
SCHEMBL23159690 0.73 ALDH1A1 (0.39) L3MBTL1LMNAMAPTTSHRTP53
SCHEMBL21295048 0.72 FEN1 (0.36) L3MBTL1LMNATSHR
SCHEMBL21295068 0.70 LMNA (0.48) L3MBTL1LMNAMAPTTSHRTP53
SCHEMBL22855748 0.70 TSHR (0.35) L3MBTL1LMNAMAPTTSHRTP53
SCHEMBL14232285 0.68 CCR2 (0.35) MAPT
SCHEMBL23159500 0.63 TSHR (0.30) L3MBTL1LMNATSHR

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 3737/4885MAPT 1951/4885

“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.