SCHEMBL627847

SCHEMBL627847

O=C(CBr)c1ccc2c(c1)OCCO2

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.70
▸ TSHR P16473 3/20 0.66
▸ HPGD P15428 2/20 0.66
▸ PKM P14618 1/20 0.66
▸ CTNNB1 P35222 10/20 0.64
▸ WNT3A P56704 6/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ ALDH1A1 P00352 3/20 0.58
▸ TP53 P04637 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ KLF5 Q13887 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56

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
SCHEMBL2985748 0.93 ALDH1A1 (0.68) ATMTSHRHPGDPKMCTNNB1
SCHEMBL175424 0.89 CTNNB1 (0.64) ATMHPGDCTNNB1WNT3AKDM4E
SCHEMBL22638726 0.86 CTNNB1 (0.72) ATMTSHRHPGDPKMCTNNB1
SCHEMBL653025 0.85 PKM (0.87) ATMTSHRHPGDPKMCTNNB1
SCHEMBL4831672 0.84 ATM (0.72) ATMTSHRHPGDPKMCTNNB1
SCHEMBL1535157 0.84 ATM (0.72) ATMTSHRHPGDPKMCTNNB1
SCHEMBL881345 0.83 KDM4E (0.50) ATMTSHRHPGDPKMCTNNB1
SCHEMBL5808134 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL7791783 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL13785039 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787794-B2 Aminothiazole compounds and methods using same TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-10-17 — — US disclosed
US-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2023-08-03 — — US disclosed
US-RE49361-E1 Fused bicyclic (hetero)aromatic compounds useful for the treatment of cancers JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2023-01-10 — — US disclosed
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 — — US disclosed
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-14 — — US disclosed
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2021-10-14 — — US disclosed
CN-107108588-B Fused bicyclic (hetero) aromatic compounds useful for the treatment of cancer 杰资制药爱尔兰有限公司 2021-06-01 — — CN disclosed
WO-2021094210-A1 SUBSTITUTED PYRAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 — — WO disclosed
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-04-13 — — US disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 — — EP disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 — — WO disclosed
EP-1065204-A1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER INC. (US) 2001-01-03 — — EP disclosed
EP-1054886-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-11-29 — — EP disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 — — WO disclosed
US-5700807-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-23 — — US disclosed
EP-0755934-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-01-29 — — EP disclosed
EP-0177463-B1 DERIVATIVES OF 2-AMINO-THIAZOLE HAVING AN ACID SECRETION INHIBITING ACTIVITY Medosan Industrie Biochimiche Riunite S.p.A. (IT) 1990-12-12 — — EP disclosed
US-4705873-A Derivatives of 2-amino-thiazole having an acid secretion inhibiting activity MEDOSAN INDUSTRIE BIOCHIMICHE RIUNITE S.P.A. (IT) 1987-11-10 — — US disclosed
US-4652575-A 2-(ethylene-thio methyl furanyl)amino thiazole derivatives having acid secretion inhibiting activity MEDOSAN INDUSTRIE BIOCHIMICHE RIUNITE S.P.A. (IT) 1987-03-24 — — US disclosed
EP-0177463-A2 Derivatives of 2-amino-thiazole having an acid secretion inhibiting activity Medosan Industrie Biochimiche Riunite S.p.A. (IT) 1986-04-09 — — EP 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK ATM 3339/4885TSHR 3722/4885HPGD 137/4885
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HTR3D, PTGDR2, PTGIR ATM 4637/4885TSHR 3741/4885HPGD 115/4885
US-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PRKAG3 ATM 1507/4885TSHR 2459/4885HPGD 938/4885
US-11787794-B2 Aminothiazole compounds and methods using same BRCA1, ALDH7A1, MGMT ATM 365/4885TSHR 4231/4885HPGD 244/4885
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives TBXA2R, HRH2, CYP4F3 ATM 4762/4885TSHR 890/4885HPGD 854/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A ATM 1565/4885TSHR 2354/4885HPGD 994/4885

“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.

Send feedback