SCHEMBL4998033

SCHEMBL4998033

COc1ccc(CC(Br)C(N)=O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.64
▸ ALOX15 P16050 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ CA2 P00918 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ ABL1 P00519 1/20 0.48
▸ RIN1 Q13671 1/20 0.48
▸ STAT3 P40763 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL27963900 0.89 LDHA (0.66) LDHAALOX15ALDH1A1ALOX12CA2
SCHEMBL8644514 0.86 LDHA (0.62) LDHAALOX15ALDH1A1ALOX12CA2
SCHEMBL9356853 0.82 LDHA (0.66) LDHAALOX15PKMALDH1A1ALOX12
SCHEMBL29209157 0.81 LDHA (0.64) LDHAALOX15ALDH1A1ALOX12CA2
SCHEMBL29944173 0.81 LDHA (0.64) LDHAALOX15ALDH1A1ALOX12CA2
Hydrochloric Acid SCHEMBL9352848 0.81 LDHA (0.64) LDHAALOX15PKMALDH1A1ALOX12
SCHEMBL5147073 0.80 LDHA (0.57) LDHAALOX15ALDH1A1ALOX12CA2
SCHEMBL16973420 0.79 LDHA (0.62) LDHAALOX15PKMALDH1A1ALOX12
SCHEMBL9444655 0.79 LDHA (0.66) LDHAALOX15PKMALDH1A1ALOX12
SCHEMBL9352795 0.78 LDHA (0.60) LDHAALOX15PKMALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 — — US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 — — US disclosed
US-20060229280-A1 Endothelin antagonists ABBVIE INC. 2006-10-12 — — US disclosed
EP-0885215-B1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2006-04-19 — — EP disclosed
EP-1609790-A2 Benzo-1,3-dioxolyl- and benzofuranyl substituted pyrrolidine derivatives as endothelin antagonists Abbott Laboratories (US) 2005-12-28 — — EP disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 — — US disclosed
CN-1384100-A Benzo-1,3-dioxole and benzofuran substituted pentazane derivative ABBOTT CO (US) 2002-12-11 — — CN disclosed
US-6462194-B1 Endothelin antagonists ABBOTT LABORATORIES 2002-10-08 — — US disclosed
CN-1091768-C Novel benzo-1, 3-dioxolyl-and benzofuranyl-substituted pyrrolidine derivatives as endothelin antagonists ABBOTT LAB CO (US) 2002-10-02 — — CN disclosed
EP-0776324-B1 ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2002-06-12 — — EP disclosed
EP-1003740-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS Abbott Laboratories (US) 2000-05-31 — — EP disclosed
CN-1219172-A Novel benzo-1, 3-dioxolyl-and benzofuranyl-substituted pyrrolidine derivatives as endothelin antagonists ABBOTT LAB CO (US) 1999-06-09 — — CN disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 — — WO disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 — — EP disclosed
US-5767144-A Endothelin antagonists ABBOTT LABORATORIES (US) 1998-06-16 — — US disclosed
US-5731434-A CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1998-03-24 — — US disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 — — WO disclosed
EP-0776324-A1 ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1997-06-04 — — EP disclosed
US-5622971-A PIPERIDINE DERIVATIVES; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1997-04-22 — — US disclosed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 — — 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 (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-20060229280-A1 Endothelin antagonists EDNRA, EDNRB, ECE1 LDHA 2901/4885ALOX15 420/4885PKM 1626/4885

“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.

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