Sugi Predict

Sugi Predict / Compounds / SCHEMBL2119

SCHEMBL2119

SCHEMBL2119

O=C(O)C(Br)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.52
▸ CES1 P23141 3/20 0.52
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALPG P10696 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL182750 1.00 CES2 (0.52) CES2CES1HDAC3HDAC4HDAC1
SCHEMBL182749 1.00 CES2 (0.52) CES2CES1HDAC3HDAC4HDAC1
SCHEMBL1121616 0.82 LMNA (0.49) CES2CES1LMNASMN1; SMN2ALDH1A1
SCHEMBL234580 0.80 CES2 (0.76) CES2CES1HDAC3HDAC4HDAC1
SCHEMBL604040 0.80 CES2 (0.76) CES2CES1HDAC3HDAC4HDAC1
SCHEMBL5899350 0.80 CES2 (0.76) CES2CES1HDAC3HDAC4HDAC1
Benzene SCHEMBL28201061 0.80 CES2 (0.76) CES2CES1HDAC3HDAC4HDAC1
SCHEMBL330957 0.80 HDAC3 (0.44) CES2CES1HDAC3HDAC4HDAC1
SCHEMBL249274 0.80 HDAC3 (0.44) CES2CES1HDAC3HDAC4HDAC1
SCHEMBL9558033 0.80 HDAC3 (0.44) CES2CES1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108079938-A There is the PERFORMANCE OF MODIFIED VERMICULITE adsorbent of absorption property to the orthophosphates in water body 北京益清源环保科技有限公司 2018-05-29 — — CN claimed
EP-2099790-B1 PROCESS FOR PREPARING NEBIVOLOL ZACH SYSTEM SPA (IT) 2010-07-07 — — EP claimed
EP-4021901-B1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2025-09-24 — — EP disclosed
US-20240400563-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2024-12-05 — — US disclosed
CN-118239889-A Acridone compound and medical application thereof as STING inhibitor 中国人民解放军军事科学院军事医学研究院 2024-06-25 — — CN disclosed
CN-114302884-B Substituted pyridopyrimidinone compounds useful as T cell activators 百时美施贵宝公司 2024-06-04 — — CN disclosed
CN-116730918-A Aporphine derivative, and preparation method and application thereof 苏州大学 2023-09-12 — — CN disclosed
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-18 — — US disclosed
CN-116003434-A Macrocyclic compound and medical application thereof 中国药科大学 2023-04-25 — — CN disclosed
CN-114524798-B Benzodithiocarbazaheterocycle derivative and preparation method and application thereof 华南师范大学 2023-04-07 — — CN disclosed
US-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators SYNGENE INTERNATIONAL LIMITED (IN) 2023-02-21 — — US disclosed
EP-0741704-A1 ARALKYLAMINO SUBSTITUTED AZACYCLIC THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1996-11-13 — — EP disclosed
WO-1995020575-A1 ARALKYLAMINO SUBSTITUTED AZACYCLIC THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1995-08-03 — — WO disclosed
CN-1083475-A Acetogenin GLAXO GROUP LTD (GB) 1994-03-09 — — CN disclosed
EP-0247633-B1 Trans-6-[2-(3- or 4-Carboxamido-substituted pyrrol-1-yl)-alkyl]-4-hydroxypyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1991-01-30 — — EP disclosed
EP-0247633-A1 Trans-6-[2-(3- or 4-Carboxamido-substituted pyrrol-1-yl)-alkyl]-4-hydroxypyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1987-12-02 — — EP disclosed
US-4681893-A Trans-6-[2-(3- or 4-carboxamido-substituted pyrrol-1-yl)alkyl]-4-hydroxypyran-2-one inhibitors of cholesterol synthesis WARNER-LAMBERT COMPANY (US) 1987-07-21 — — US disclosed
US-4307232-A Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-22 — — US disclosed
US-4243805-A 3 Fluoro-10-piperazino-8-substituted 10,11-dihydrodibenzo-(bf) thiepins and method for the preparation thereof SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1981-01-06 — — US disclosed
US-4238611-A Polysubstituted derivatives of 10-piperazinodibenzo (b,f) thiepine SPOFA, UNITED PHARMACEUTICAL WORKS (CS) 1980-12-09 — — US 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 (3 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-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators DGKZ, DGKA, DGKG CES2 4254/4885CES1 3187/4885HDAC3 2548/4885
US-20240400563-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG CES2 4254/4885CES1 3187/4885HDAC3 2548/4885
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG CES2 4277/4885CES1 3006/4885HDAC3 2174/4885

“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.