SCHEMBL8210892

SCHEMBL8210892

Cc1cccc(-c2ccccc2Br)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
HSD11B1 P28845 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL24938386 0.88 ALDH1A1 (0.48) ALDH1A1MAOBMAOAMAPK1TSHR
SCHEMBL16933963 0.88 ALDH1A1 (0.46) ALDH1A1MAOBMAOAMAPK1TSHR
SCHEMBL3563744 0.83 ALDH1A1 (0.62) ALDH1A1MAOBMAOAMAPK1TSHR
SCHEMBL2802312 0.80 ALDH1A1 (0.52) ALDH1A1MAOBMAOAMAPK1TSHR
SCHEMBL28888551 0.80 ALDH1A1 (0.52) ALDH1A1MAOBMAOAMAPK1TSHR
SCHEMBL686929 0.80
SCHEMBL29661770 0.80
SCHEMBL31264394 0.79 ALDH1A1 (0.56) ALDH1A1MAOBMAOAMAPK1TSHR
SCHEMBL31435779 0.78 ALDH1A1 (0.50) ALDH1A1MAOBMAOAMAPK1TSHR
SCHEMBL9796676 0.78 ALDH1A1 (0.44) ALDH1A1MAOBMAOAMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
US-11840581-B2 α4β7 thioether peptide dimer antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-20230192767-A1 IL-2RGAMMA BINDING COMPOUNDS MCMEEKIN, DERMOT (GB) 2023-06-22 US disclosed
CN-115925790-A Methods for synthesizing alpha 4 beta 7 peptide antagonists 领导医疗有限公司 2023-04-07 CN disclosed
US-20230063321-A1 Methods for Treating Inflammatory Bowel Diseases with alpha4beta7 Integrin Antagonists PROTAGONIST THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11548914-B2 IL-2Rgamma binding compounds MEDIKINE, INC. (US) 2023-01-10 US disclosed
CN-115038457-A Methods for treating inflammatory bowel disease using alpha 4 beta 7 integrin antagonists 普罗塔格尼斯特治疗股份有限公司 2022-09-09 CN disclosed
US-20220275026-A1 IL-2RBETA BINDING COMPOUNDS SAMSARA BIOCAPITAL, L.P. 2022-09-01 US disclosed
EP-4023667-A1 IL-2 RECEPTOR BINDING COMPOUNDS Medikine, Inc. (US) 2022-07-06 EP disclosed
US-11358986-B2 IL-2RBETA binding compounds MEDIKINE, INC. (US) 2022-06-14 US disclosed
WO-2016054411-A1 NOVEL α4β7 PEPTIDE MONOMER AND DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2016-04-07 WO disclosed
WO-2016054445-A1 NOVEL CYCLIC MONOMER AND DIMER PEPTIDES HAVING INTEGRIN ANTAGONIST ACTIVITY PROTAGONIST THERAPEUTICS, INC. (US) 2016-04-07 WO disclosed
US-20160031944-A1 a4B7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2016-02-04 US disclosed
WO-2015176035-A1 α4β7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2015-11-19 WO disclosed
US-6043398-A WATER-SOLUBLE, SULFONATED DIPHOSPHINES COMPLEXED WITH A TRANSITION METAL TO FORM HYDROFORMYLATION CATALYSTS; OUTSTANDING SURFACE ACTIVE PROPERTIES IN TWO PHASE CATALYSIS OF TWO PHASE HYDROFORMYLATION OF OCT-1-ENE OLEFINS CELANESE INTERNATIONAL CORPORATION (US) 2000-03-28 US disclosed
US-5929273-A METALLATION OF ARYLPHOSPHINE HALIDE BY HEATING AND PRESSURIZING IN SUITABLE CONDITIONS TO FORM ARYLPHSPHINIDE, COUPLING THE FORMED INTERMEDIATE WITH ORGANIC HALIDE TO FORM ARYL DIPHOSPHINE CELANESE INTERNATIONAL CORP (US) 1999-07-27 US disclosed
EP-0898573-A1 ARYL DIPHOSPHINES AND CATALYSTS CONTAINING THE SAME Hoechst Celanese Corporation (US) 1999-03-03 EP disclosed
US-5817775-A HYDROFORMYLATION CATALYST CELANESE INTERNATIONAL CORPORATION (US) 1998-10-06 US disclosed
US-5777087-A Aryl diphosphines and catalysts containing the same CELANESE INTERNATIONAL CORPORATION (US) 1998-07-07 US disclosed
WO-1997039005-A1 ARYL DIPHOSPHINES AND CATALYSTS CONTAINING THE SAME HOECHST CELANESE CORPORATION (US) 1997-10-23 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 (4 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-20160031944-A1 a4B7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS ITGB7, EPCAM, ITGB4 ALDH1A1 2354/4885MAOB 4686/4885MAOA 4882/4885
US-20230063321-A1 Methods for Treating Inflammatory Bowel Diseases with alpha4beta7 Integrin Antagonists ITGB7, ITGB4, ITGA4 ALDH1A1 2526/4885MAOB 4689/4885MAOA 4866/4885
US-11840581-B2 α4β7 thioether peptide dimer antagonists EPCAM, SELPLG, VCAM1 ALDH1A1 2562/4885MAOB 4861/4885MAOA 4878/4885
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS EPCAM, ANXA7, GRB7 ALDH1A1 3588/4885MAOB 4618/4885MAOA 4880/4885

“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.