Sugi Predict

Sugi Predict / Compounds / SCHEMBL96469

SCHEMBL96469

SCHEMBL96469

O=C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 15/20 0.54
▸ MAOA P21397 13/20 0.54
▸ CA9 Q16790 1/20 0.49
▸ AOC3 Q16853 1/20 0.48
▸ KIF11 P52732 1/20 0.48
▸ EIF2AK2 P19525 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL29923498 1.00 MAOB (0.54) MAOBMAOACA9AOC3KIF11
SCHEMBL96564 0.90 KIF11 (0.59) MAOBMAOAKIF11SMN1; SMN2
SCHEMBL5257514 0.82 DRD2 (0.39) MAOBMAOAAOC3EIF2AK2
SCHEMBL17785603 0.81 KIF11 (0.57) MAOBMAOACA9AOC3KIF11
SCHEMBL7443640 0.80 DRD2 (0.44) KIF11
SCHEMBL29724095 0.75 MAOB (0.58) MAOBMAOACA9AOC3EIF2AK2
SCHEMBL18850317 0.75 MAOB (0.58) MAOBMAOACA9AOC3EIF2AK2
SCHEMBL703728 0.75 MAOB (0.58) MAOBMAOACA9AOC3EIF2AK2
SCHEMBL8109567 0.75 CA9 (0.62) MAOBMAOACA9AOC3EIF2AK2
SCHEMBL15387034 0.75 MAOB (0.58) MAOBMAOACA9AOC3EIF2AK2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867776-A Histone deacetylase inhibitor and application thereof 微境生物医药科技(上海)有限公司 2023-10-10 — — CN disclosed
CN-115073424-A Histone deacetylase inhibitor and application thereof 微境生物医药科技(上海)有限公司 2022-09-20 — — CN disclosed
WO-2022188841-A1 HISTONE DEACETYLASE INHIBITOR AND APPLICATION THEREOF 微境生物医药科技(上海)有限公司 2022-09-15 — — WO disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 — — US disclosed
EP-3115361-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-01-11 — — EP disclosed
WO-2015131856-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2015-09-11 — — WO disclosed
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 — — US disclosed
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 — — US disclosed
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 — — US disclosed
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 — — US disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 — — US disclosed
WO-2010038901-A1 7-PIPERIDINOALKYL-3,4-DIHYDROQUINOLONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-04-08 — — WO disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 — — US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 — — US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 — — 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-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNH3 MAOB 2382/4885MAOA 3092/4885CA9 3215/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 MAOB 273/4885MAOA 337/4885CA9 226/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAOB 4538/4885MAOA 4581/4885CA9 895/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MAOB 273/4885MAOA 337/4885CA9 226/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MAOB 273/4885MAOA 337/4885CA9 226/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 MAOB 97/4885MAOA 120/4885CA9 589/4885

“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.