SCHEMBL21295038

SCHEMBL21295038

CCOC(=O)c1cc2c(C)csc2n1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 3/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.39
F10 P00742 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.37
NOD2 Q9HC29 1/20 0.37

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
SCHEMBL22829620 0.84 GPR35 (0.42) TSHRPOLBHSD17B10KDM4EALDH1A1
SCHEMBL17560051 0.74 TSHR (0.52) TSHRPOLBHSD17B10KDM4EMAPT
SCHEMBL21295043 0.72 ALDH1A1 (0.48) TSHRPOLBHSD17B10KDM4EMAPT
SCHEMBL21295044 0.71 ADORA2B (0.34)
SCHEMBL6765270 0.71 MAPT (0.56) TSHRPOLBKDM4EMAPTALDH1A1
SCHEMBL22346607 0.70 TSHR (0.41) TSHRPOLBHSD17B10KDM4EMAPT
SCHEMBL21295090 0.70 ADORA2B (0.36)
SCHEMBL23013330 0.69 USP2 (0.42) TSHRPOLBHSD17B10KDM4EMAPT
SCHEMBL17554396 0.69 TSHR (0.78) TSHRPOLBHSD17B10KDM4EMAPT
SCHEMBL701977 0.68 KDM4E (0.52) TSHRPOLBHSD17B10KDM4EMAPT

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.