SCHEMBL21225422

SCHEMBL21225422

O=C(O)c1cc2cc(F)c(F)c(F)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 4/20 0.54
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 2/20 0.46
NFKB1 P19838 2/20 0.46
APEX1 P27695 2/20 0.46
PDPK1 O15530 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 2/20 0.45
TDO2 P48775 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
DAO P14920 3/20 0.42
GPR35 Q9HC97 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL25531719 0.84 EIF4A3 (0.54) EIF4A3HPGDALDH1A1KDM4EHSD17B10
SCHEMBL21225450 0.84 EIF4A3 (0.50) EIF4A3HPGDALDH1A1KDM4EHSD17B10
SCHEMBL21225606 0.84 EIF4A3 (0.50) EIF4A3HPGDALDH1A1KDM4EHSD17B10
SCHEMBL21225660 0.82 EIF4A3 (0.51) EIF4A3HPGDALDH1A1KDM4EHSD17B10
SCHEMBL29612289 0.82 EIF4A3 (0.55) EIF4A3HPGDALDH1A1KDM4EHSD17B10
SCHEMBL21225612 0.82 EIF4A3 (0.51) EIF4A3HPGDALDH1A1KDM4EHSD17B10
SCHEMBL21225622 0.82 EIF4A3 (0.55) EIF4A3HPGDALDH1A1KDM4EHSD17B10
SCHEMBL21235447 0.81 XDH (0.55) EIF4A3HPGDALDH1A1KDM4ELMNA
SCHEMBL29425105 0.80 EIF4A3 (0.65) EIF4A3HPGDALDH1A1KDM4EHSD17B10
SCHEMBL22395050 0.80 EIF4A3 (0.65) EIF4A3HPGDALDH1A1KDM4EHSD17B10

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018033-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2024-06-25 US disclosed
CN-114380732-B Preparation method of fluoroindole carboxylic acid compound 上海毕得医药科技股份有限公司 2024-01-23 CN disclosed
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 US disclosed
WO-2023086350-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2023-05-19 WO disclosed
US-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2023-05-18 US disclosed
US-11453676-B2 Inhibitors of protein arginine deiminases FORWARD THERAPEUTICS, INC. (US) 2022-09-27 US disclosed
CN-114380732-A Preparation method of fluoro-indole carboxylic acid compounds 上海毕得医药科技股份有限公司 2022-04-22 CN disclosed
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2021-02-25 US disclosed
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2021-02-25 US disclosed
EP-3746430-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES Padforward LLC (US) 2020-12-09 EP disclosed
WO-2019152883-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADFORWARD LLC (US) 2019-08-08 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 (6 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-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADI2, PADI1, PADI4 EIF4A3 3947/4885HPGD 205/4885ALDH1A1 1930/4885
US-11453676-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 EIF4A3 3899/4885HPGD 266/4885ALDH1A1 1830/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 EIF4A3 41/4885HPGD 3962/4885ALDH1A1 876/4885
US-20210053975-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADI2, PADI1, PADI4 EIF4A3 3947/4885HPGD 205/4885ALDH1A1 1930/4885
US-12018033-B2 Inhibitors of protein arginine deiminases PADI2, PADI1, PADI4 EIF4A3 3938/4885HPGD 254/4885ALDH1A1 1820/4885
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ACE, SARS1, ACE2 EIF4A3 41/4885HPGD 3962/4885ALDH1A1 876/4885

“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.