Sugi Predict

Sugi Predict / Compounds / SCHEMBL536897

SCHEMBL536897

SCHEMBL536897

O=C(O)C(Br)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ PARP1 P09874 1/20 0.44
▸ CTSA P10619 1/20 0.42
▸ SRC P12931 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B3 P37058 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MGAM O43451 1/20 0.40
▸ SI P14410 1/20 0.40

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
SCHEMBL9298735 1.00 CES2 (0.48) CES2CES1ALDH1A1IDO1TDO2
SCHEMBL20930558 0.85 CYP2D6 (0.60) CES2CES1ALDH1A1IDO1TDO2
SCHEMBL9298186 0.84 PARP1 (0.41) CES2CES1ALDH1A1IDO1TDO2
SCHEMBL9298189 0.84 PARP1 (0.41) CES2CES1ALDH1A1IDO1TDO2
SCHEMBL22673486 0.83 ALDH1A1 (0.51) CES2CES1ALDH1A1IDO1TDO2
SCHEMBL11004764 0.83 ALDH1A1 (0.46) ALDH1A1IDO1TDO2PARP1CTSA
SCHEMBL5856096 0.83 SRC (0.58) ALDH1A1IDO1TDO2PARP1CTSA
SCHEMBL31736245 0.82 LMNA (0.59) ALDH1A1IDO1TDO2PARP1CTSA
SCHEMBL742997 0.82 LMNA (0.59) ALDH1A1IDO1TDO2PARP1CTSA
SCHEMBL742998 0.82 LMNA (0.59) ALDH1A1IDO1TDO2PARP1CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794329-A Synthetic method of 2, 5-dibromophenylacetic acid 海门市新港医药科技有限公司 2018-11-13 — — CN claimed
CN-104693019-B Method for preparing 2, 5-dibromo-benzene acetic acid 宁波九胜创新医药科技有限公司 2017-02-01 — — CN claimed
CN-118176187-A Condensed ring compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-11 — — CN disclosed
CN-107021968-B The method of the polysubstituted organic photochemical catalyst catalyzing indole quinoline class compound oxidation dehydrogenation synthesis of indole class compound of BODIPY 陕西师范大学 2018-12-07 — — CN disclosed
CN-108794329-A Synthetic method of 2, 5-dibromophenylacetic acid 海门市新港医药科技有限公司 2018-11-13 — — CN disclosed
CN-108794329-A Synthetic method of 2, 5-dibromophenylacetic acid 海门市新港医药科技有限公司 2018-11-13 — — CN disclosed
CN-108290904-A Deuterium modified elbasvir derivatives, pharmaceutical compositions containing the same and uses thereof 正大天晴药业集团股份有限公司 2018-07-17 — — CN disclosed
CN-107759459-A Synthetic method of 2, 5-dibromophenylacetic acid 南京工业大学 2018-03-06 — — CN disclosed
CN-107021968-A The method of the polysubstituted organic photochemical catalyst catalyzing indole quinoline class compound oxidation dehydrogenation synthesis of indole class compounds of BODIPY 陕西师范大学 2017-08-08 — — CN disclosed
CN-104693019-B Method for preparing 2, 5-dibromo-benzene acetic acid 宁波九胜创新医药科技有限公司 2017-02-01 — — CN disclosed
US-9108957-B2 3-[1,4]oxazepane-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-18 — — US disclosed
EP-2414349-A1 3-Ý1,4¨OXAZEPANE-4-PYRIMIDONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-08 — — EP disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 — — WO disclosed
WO-2010114179-A1 3-[1,4]OXAZEPANE-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-07 — — WO disclosed
US-6916805-B2 Quinoxalinones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-07-12 — — US disclosed
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 — — US disclosed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 — — US disclosed
EP-1068190-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 — — EP disclosed
WO-1999050254-A1 QUINOXALINONES AS SERINE PROTEASE INHIBITORS SUCH AS FACTOR XA AND THROMBIN WARNER-LAMBERT COMPANY (US) 1999-10-07 — — WO disclosed
US-5374656-A Nervous system disorders, gastrointestinal disorders RHONE-POULENC RORER, S.A. (FR) 1994-12-20 — — 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 (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-20020086866-A1 Quinoxalinones as serine protease inhibitors HABP2, SERPINB1, PRSS1 CES2 1781/4885CES1 347/4885ALDH1A1 1960/4885

“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.