Sugi Predict

Sugi Predict / Compounds / SCHEMBL21776571

SCHEMBL21776571

SCHEMBL21776571

NC(=O)c1c(Br)cc(C(=O)O)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KEAP1 Q14145 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL28881430 0.84 NOTUM (0.46) NOTUMKDM4ELMNAL3MBTL1KEAP1
SCHEMBL21776519 0.82 CHRNA7 (0.49) KDM4EMAPK14TP53KMT2APOLB
SCHEMBL23147392 0.81 NOTUM (0.58) NOTUMKDM4ELMNAL3MBTL1TP53
SCHEMBL21776534 0.80 NOTUM (0.46) NOTUMKDM4ELMNAL3MBTL1TP53
SCHEMBL21785024 0.75 CHRNA7 (0.47) NOTUMKDM4ETP53KMT2APOLB
SCHEMBL29721079 0.75 ALDH1A1 (0.41) NOTUMKDM4ELMNAL3MBTL1TDP1
SCHEMBL29720883 0.75 L3MBTL1 (0.47) NOTUMKDM4EL3MBTL1MAPK14POLB
SCHEMBL21776518 0.74 NOTUM (0.45) NOTUMKDM4ELMNAL3MBTL1MAPK14
SCHEMBL31339896 0.72 NOTUM (0.48) NOTUMKDM4ELMNAL3MBTL1TDP1
SCHEMBL21776526 0.72 CHRNA7 (0.49) KDM4ELMNATP53KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195471-B Polysubstituted pyridone derivative and application thereof in medicine 苏州浦合医药科技有限公司 2023-05-02 — — CN disclosed
US-20210355107-A1 MULTI-SUBSTITUTED PYRIDONE DERIVATIVES AND MEDICAL USE THEREOF BEIJING YUEZHIKANGTAI BIOMEDICINES CO LTD (CN) 2021-11-18 — — US disclosed
CN-113195471-A Polysubstituted pyridone derivative and application thereof in medicine 北京越之康泰生物医药科技有限公司 2021-07-30 — — CN disclosed
EP-3845527-A1 MULTI-SUBSTITUTED PYRIDONE DERIVATIVES AND MEDICAL USE THEREOF Beijing Yuezhikangtai Biomedicines Co., Ltd. (CN) 2021-07-07 — — EP disclosed
WO-2020042618-A1 MULTI-SUBSTITUTED PYRIDONE DERIVATIVES AND MEDICAL USE THEREOF 北京越之康泰生物医药科技有限公司 2020-03-05 — — WO disclosed
WO-2020042618-A1 MULTI-SUBSTITUTED PYRIDONE DERIVATIVES AND MEDICAL USE THEREOF 北京越之康泰生物医药科技有限公司 2020-03-05 — — 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-20210355107-A1 MULTI-SUBSTITUTED PYRIDONE DERIVATIVES AND MEDICAL USE THEREOF PDXK, ITK, JAK1 NOTUM 209/4885KDM4E 1034/4885LMNA 3969/4885

“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.