Sugi Predict

Sugi Predict / Compounds / SCHEMBL1802165

SCHEMBL1802165

SCHEMBL1802165

O=C(C(=O)c1ccccc1Br)c1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.50
▸ CES1 P23141 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ELANE P08246 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL738088 0.89 CES2 (0.61) CES2CES1NPC1RAB9AMEN1
SCHEMBL5349768 0.87 MEN1 (0.47) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL31058978 0.87 MEN1 (0.47) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL28533872 0.85 NPC1 (0.44) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL29470997 0.83 PRNP (0.53) NPC1RAB9AMEN1KMT2AELANE
SCHEMBL1681866 0.83 PRNP (0.53) NPC1RAB9AMEN1KMT2AELANE
Cyanide SCHEMBL11194466 0.83 CES2 (0.54) CES2CES1NPC1RAB9AMEN1
SCHEMBL16163072 0.82 HPGD (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL16163071 0.82 HPGD (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11624744 0.82 CES2 (0.59) CES2CES1NPC1MEN1KMT2A

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-114805757-B Sulfonated benzene polyphenyl ionomer, preparation method thereof and proton exchange membrane 中国科学院深圳先进技术研究院 2023-05-05 — — CN disclosed
CN-113493445-B Imidazolyl spiro derivative with aggregation-induced emission property and application thereof 湖北大学 2022-10-28 — — CN disclosed
CN-109705051-B 2, 4, 5-trisubstituted oxazole and synthesis method thereof 湖南城市学院 2022-09-23 — — CN disclosed
CN-114805757-A Sulfonated polyphenyl ionomer, preparation method thereof and proton exchange membrane 中国科学院深圳先进技术研究院 2022-07-29 — — CN disclosed
CN-113493445-A Imidazolyl spiro derivative with aggregation-induced emission property and application thereof 湖北大学 2021-10-12 — — CN disclosed
US-7973034-B2 Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2011-07-05 — — US disclosed
US-7951470-B2 Light emitting element, light emitting device, and lighting system SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-05-31 — — US disclosed
US-7951470-B2 Light emitting element, light emitting device, and lighting system SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-05-31 — — US disclosed
US-7951470-B2 Light emitting element, light emitting device, and lighting system SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-05-31 — — US disclosed
US-20080036369-A1 Light Emitting Element, Light Emitting Device, and Lighting System SEMICONDUCTOR ENERGY LABORSTORY CO., LTD. (JP) 2008-02-14 — — US disclosed
US-20050054691-A1 Carboxylesterase inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2005-03-10 — — US disclosed
WO-2004006352-A2 ELECTRONIC DEVICES MADE WITH ELECTRON TRANSPORT AND/OR ANTI-QUENCHING LAYERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-01-15 — — WO disclosed
WO-2004006355-A2 CHARGE TRANSPORT COMPOSITIONS WHICH ARE QUINAZOLINE DERIVATIVES AND ELECTRONIC DEVICES MADE WITH SUCH COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-01-15 — — WO disclosed
US-20020183518-A1 Modulators of proteins with phosphotyrosine recognition units ONTOGEN CORPORATION 2002-12-05 — — US disclosed
US-6388076-B1 ANTIPROLIFERATIVE AGENTS; SKIN DISORDERS; OSTEOPOROSIS ONTOGEN CORPORATION 2002-05-14 — — US disclosed
US-6150532-A OXAZOLE COMPOUNDS WITH UNSATURATED ACID OR ESTER GROUPS AS ENZYME INHIBITORS MJALLI ADNAN (US) 2000-11-21 — — US disclosed
US-5965558-A 2 OR 2,3-DI((2-CARBOXYETHYLENEARYL)QUINOXALINES; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; UNITS INCLUDING PROTEIN TYROSINE PHOSPHATASES AND PROTEINS WITH SRC-HOMOLOGY-2 DOMAINS; ANTIDIABETICS,-ALLERGENS,-COAGULANTS ONTOGEN CORPORATION (US) 1999-10-12 — — US disclosed
EP-0946518-A1 MODULATORS OF PROTEINS WITH PHOSPHOTYROSINE RECOGNITION UNITS ONTOGEN CORPORATION (US) 1999-10-06 — — EP disclosed
WO-1998027065-A1 MODULATORS OF PROTEINS WITH PHOSPHOTYROSINE RECOGNITION UNITS ONTOGEN CORPORATION (US) 1998-06-25 — — WO disclosed
US-5753687-A ACRYLATED ARYLIMIDAZOLE DERIVATIVES ONTOGEN CORPORATION (US) 1998-05-19 — — 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 (2 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-20050054691-A1 Carboxylesterase inhibitors CES1, CES2, BCHE CES2 2/4885CES1 1/4885NPC1 1377/4885
US-20020183518-A1 Modulators of proteins with phosphotyrosine recognition units PTPRC, PTPN4, PTPN1 CES2 1010/4885CES1 1728/4885NPC1 4473/4885

“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.